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"""Definitions and properties of amino-acids adapted from p2smi (https://github.com/AaronFeller/p2smi)""" | |
# Natural Amino-acids: | |
all_aminos = { | |
"Phenylglycine": { | |
"Code": "PG", | |
"Formula": "C8H9NO2", | |
"Letter": "Ḁ", | |
"MolWeight": 151.063328528, | |
"SMILES": "N[C@@H](c1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-methoxy-Phenylalanine": { | |
"Code": "0A1", | |
"Formula": "C10H13NO3", | |
"Letter": "Ạ", | |
"MolWeight": 195.089543276, | |
"SMILES": "N[C@@H](Cc1ccc(OC)cc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"7-hydroxy-l-tryptophan": { | |
"Code": "0AF", | |
"Formula": "C11H12N2O3", | |
"Letter": "Ả", | |
"MolWeight": 220.084792244, | |
"SMILES": "N[C@@H](Cc1c[nH]c2c1cccc2O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-carbamimidoyl-l-phenylalanine": { | |
"Code": "0BN", | |
"Formula": "C10H13N3O2", | |
"Letter": "Ấ", | |
"MolWeight": 207.100776656, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)C(=N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](Cc1ccc(cc1)C(=N*)N)C(=O)O", | |
}, | |
"4-chloro-Phenylalanine": { | |
"Code": "4CP", | |
"Formula": "C9H10ClNO2", | |
"Letter": "Ầ", | |
"MolWeight": 199.04000624, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-Allyl-glycine": { | |
"Code": "2AG", | |
"Formula": "C7H11NO5", | |
"Letter": "Ẫ", | |
"MolWeight": 189.063722452, | |
"SMILES": "N[C@@H](CCCC(C(=O)O)=O)C(=O)O", | |
"cterm": "N[C@@H](CCCC(C*(=O))=O)C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-methyl-aspartic-acid": { | |
"Code": "2AS", | |
"Formula": "C5H9NO4", | |
"Letter": "Ậ", | |
"MolWeight": 147.053157768, | |
"SMILES": "N[C@H]([C@H](C)(C(=O)O))C(=O)O", | |
"cterm": "N[C@H]([C@H](C)(C*(=O)))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"s-(difluoromethyl)-homocysteine": { | |
"Code": "2FM", | |
"Formula": "C5H9F2NO2S", | |
"Letter": "Ắ", | |
"MolWeight": 185.032205968, | |
"SMILES": "N[C@@H](CCSC(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-fluoro-l-histidine": { | |
"Code": "2HF", | |
"Formula": "C6H12FN3O2", | |
"Letter": "Ằ", | |
"MolWeight": 177.091354844, | |
"SMILES": "N[C@@H](C[C@@H]1CN[C@@H](N1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-fluoro-l-histidine(1)": { | |
"Code": "2HF1", | |
"Formula": "C6H8FN3O2", | |
"Letter": "Ẳ", | |
"MolWeight": 173.060054716, | |
"SMILES": "N[C@@H](Cc1cnc(F)N1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-fluoro-l-histidine(2)": { | |
"Code": "2HF2", | |
"Formula": "C6H8FN3O2", | |
"Letter": "Ẵ", | |
"MolWeight": 173.060054716, | |
"SMILES": "N[C@@H](Cc1c[nH]c(n1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"l-2-amino-6-methylene-pimelic-acid": { | |
"Code": "2NP", | |
"Formula": "C8H13NO4", | |
"Letter": "Ặ", | |
"MolWeight": 187.084457896, | |
"SMILES": "N[C@@H](CCCC(=C)C(=O)O)C(=O)O", | |
"cterm": "N[C@@H](CCCC(=C)C*(=O))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine": { | |
"Code": "32T", | |
"Formula": "C9H10N2O2S", | |
"Letter": "Ḃ", | |
"MolWeight": 210.04629856, | |
"SMILES": "N[C@H](Cc1c[nH]c2c1scc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-cyano-phenylalanine": { | |
"Code": "3CF", | |
"Formula": "C10H10N2O2", | |
"Letter": "Ḅ", | |
"MolWeight": 190.07422756, | |
"SMILES": "N[C@@H](Cc1cccc(C#N)c1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"(2s)-amino(3,5-dihydroxyphenyl)-ethanoic-acid": { | |
"Code": "3FG", | |
"Formula": "C8H9NO4", | |
"Letter": "Ḇ", | |
"MolWeight": 183.053157768, | |
"SMILES": "N[C@@H](c1cc(O)cc(c1)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@@H](c1cc(O*)cc(c1)O)C(=O)O", | |
"nterm": False, | |
}, | |
"4-hydroxy-glutamic-acid": { | |
"Code": "3GL", | |
"Formula": "C5H9NO5", | |
"Letter": "Ḉ", | |
"MolWeight": 163.048072388, | |
"SMILES": "N[C@@H](C[C@@H](C(=O)O)O)C(=O)O", | |
"cterm": "N[C@@H](C[C@@H](C*(=O))O)C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-Chloro-tyrosine": { | |
"Code": "3MY", | |
"Formula": "C9H10ClNO3", | |
"Letter": "Ḋ", | |
"MolWeight": 215.03492086, | |
"SMILES": "N[C@H](Cc1ccc(c(c1)Cl)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-Bromo-phenylalanine": { | |
"Code": "4BF", | |
"Formula": "C9H10BrNO2", | |
"Letter": "Ḍ", | |
"MolWeight": 242.98949066, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)Br)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-cyano-phenylalanine": { | |
"Code": "4CF", | |
"Formula": "C10H10N2O2", | |
"Letter": "Ḏ", | |
"MolWeight": 190.07422756, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)C#N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"nitrilo-l-methionine": { | |
"Code": "4CY", | |
"Formula": "C5H8N2O2S", | |
"Letter": "Ḑ", | |
"MolWeight": 160.030648496, | |
"SMILES": "N[C@@H](CCSC#N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-fluoro-tryptophan": { | |
"Code": "4FW", | |
"Formula": "C11H11FN2O2", | |
"Letter": "Ḓ", | |
"MolWeight": 222.080455812, | |
"SMILES": "N[C@@H](Cc1c[nH]c2c1c(F)ccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-hydroxymethyl-phenylalanine": { | |
"Code": "4HMP", | |
"Formula": "C10H13NO3", | |
"Letter": "Ḕ", | |
"MolWeight": 195.089543276, | |
"SMILES": "N[C@@H](Cc1ccc(CO)cc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-hydroxy-tryptophan": { | |
"Code": "4HT", | |
"Formula": "C11H12N2O3", | |
"Letter": "Ḗ", | |
"MolWeight": 220.084792244, | |
"SMILES": "N[C@@H](Cc1c[nH]c2c1c(O)ccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@@H](Cc1c[nH]c2c1c(O*)ccc2)C(=O)O", | |
"nterm": False, | |
}, | |
"4-amino-l-tryptophan": { | |
"Code": "4IN", | |
"Formula": "C11H13N3O2", | |
"Letter": "Ḙ", | |
"MolWeight": 219.100776656, | |
"SMILES": "N[C@@H](Cc1c[nH]c2c1c(N)ccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-methyl-phenylalanine": { | |
"Code": "4PH", | |
"Formula": "C10H13NO2", | |
"Letter": "Ḛ", | |
"MolWeight": 179.094628656, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"6-carboxylysine": { | |
"Code": "6CL", | |
"Formula": "C7H14N2O4", | |
"Letter": "Ḝ", | |
"MolWeight": 190.095356928, | |
"SMILES": "N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O", | |
"cterm": "N[C@@H](CCC[C@H](C*(=O))N)C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CCC[C@H](C(=O)O)N*)C(=O)O", | |
}, | |
"6-chloro-l-tryptophan": { | |
"Code": "6CW", | |
"Formula": "C11H11ClN2O2", | |
"Letter": "Ẹ", | |
"MolWeight": 238.050905272, | |
"SMILES": "N[C@@H](Cc1c[nH]c2c1ccc(c2)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-amino-5-hydroxypentanoic-acid": { | |
"Code": "AA4", | |
"Formula": "C5H11NO3", | |
"Letter": "Ẻ", | |
"MolWeight": 133.073893212, | |
"SMILES": "N[C@@H](CCCO)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@@H](CCCO*)C(=O)O", | |
"nterm": False, | |
}, | |
"2-Aminobutyric-acid": { | |
"Code": "ABA", | |
"Formula": "C4H9NO2", | |
"Letter": "Ẽ", | |
"MolWeight": 103.063328528, | |
"SMILES": "N[C@@H](CC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"cis-amiclenomycin": { | |
"Code": "ACZ", | |
"Formula": "C10H16N2O2", | |
"Letter": "Ế", | |
"MolWeight": 196.121177752, | |
"SMILES": "N[C@@H](CC[C@@H]1C=C[C@@H](C=C1)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CC[C@@H]1C=C[C@@H](C=C1)N*)C(=O)O", | |
}, | |
"Adamanthane": { | |
"Code": "ADAM", | |
"Formula": "C13H21NO2", | |
"Letter": "Ề", | |
"MolWeight": 223.157228912, | |
"SMILES": "N[C@@H](C[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"5-methyl-arginine": { | |
"Code": "AGM", | |
"Formula": "C7H16N4O2", | |
"Letter": "Ể", | |
"MolWeight": 188.127325752, | |
"SMILES": "N[C@@H](CC[C@H](C)NC(=N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CC[C@H](C)NC(=N*)N)C(=O)O", | |
}, | |
"beta-hydroxyasparagine": { | |
"Code": "AHB", | |
"Formula": "C4H8N2O4", | |
"Letter": "Ễ", | |
"MolWeight": 148.048406736, | |
"SMILES": "N[C@@H]([C@@H](C(=O)N)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-Aminoheptanoic-acid": { | |
"Code": "AHP", | |
"Formula": "C7H15NO2", | |
"Letter": "Ệ", | |
"MolWeight": 145.11027872, | |
"SMILES": "N[C@@H](CCCCC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-cyclohexyl-alanine": { | |
"Code": "ALC", | |
"Formula": "C9H17NO2", | |
"Letter": "Ḟ", | |
"MolWeight": 171.125928784, | |
"SMILES": "N[C@@H](CC1CCCCC1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"1-Naphthyl-alanine": { | |
"Code": "ALN", | |
"Formula": "C13H13NO2", | |
"Letter": "Ḡ", | |
"MolWeight": 215.094628656, | |
"SMILES": "N[C@@H](Cc1cccc2c1cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Allo-threonine": { | |
"Code": "ALO", | |
"Formula": "C4H9NO3", | |
"Letter": "Ḣ", | |
"MolWeight": 119.058243148, | |
"SMILES": "N[C@@H]([C@H](C)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(9-anthryl)-alanine": { | |
"Code": "ANTH", | |
"Formula": "C17H15NO2", | |
"Letter": "Ḥ", | |
"MolWeight": 265.11027872, | |
"SMILES": "N[C@@H](Cc1c2ccccc2cc2c1cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-Methyl-phenylalanine": { | |
"Code": "APD", | |
"Formula": "C10H13NO2", | |
"Letter": "Ḧ", | |
"MolWeight": 179.094628656, | |
"SMILES": "N[C@@H](Cc1cccc(c1)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"m-amidinophenyl-3-alanine": { | |
"Code": "APM", | |
"Formula": "C10H13N3O2", | |
"Letter": "Ḩ", | |
"MolWeight": 207.100776656, | |
"SMILES": "N[C@@H](Cc1cccc(c1)C(=N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](Cc1cccc(c1)C(=N*)N)C(=O)O", | |
}, | |
"c-gamma-hydroxy-arginine": { | |
"Code": "ARO", | |
"Formula": "C6H14N4O3", | |
"Letter": "Ḫ", | |
"MolWeight": 190.106590308, | |
"SMILES": "N[C@@H](C[C@@H](O)CN=C(N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](C[C@@H](O)CN=C(N)N*)C(=O)O", | |
}, | |
"(2r)-2-amino-4-oxobutanoic-acid": { | |
"Code": "AS2", | |
"Formula": "C4H7NO3", | |
"Letter": "Ỉ", | |
"MolWeight": 117.042593084, | |
"SMILES": "N[C@@H](CC=O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"azido-alanine": { | |
"Code": "AZDA", | |
"Formula": "C3H7N4O2+", | |
"Letter": "Ị", | |
"MolWeight": 131.05635188409, | |
"SMILES": "N[C@@H](CN=[N+]=N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Phenylserine": { | |
"Code": "BB8", | |
"Formula": "C9H11NO3", | |
"Letter": "Ḭ", | |
"MolWeight": 181.073893212, | |
"SMILES": "N[C@@H]([C@@H](O)c1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"benzylcysteine": { | |
"Code": "BCS", | |
"Formula": "C10H13NO2S", | |
"Letter": "Ḯ", | |
"MolWeight": 211.066699656, | |
"SMILES": "N[C@@H](CSCc1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"beta-hydroxyaspartic-acid": { | |
"Code": "BHD", | |
"Formula": "C4H7NO5", | |
"Letter": "Ḱ", | |
"MolWeight": 149.032422324, | |
"SMILES": "N[C@@H]([C@H](O)C(=O)O)C(=O)O", | |
"cterm": "N[C@@H]([C@H](O)C*(=O))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4,4-biphenylalanine": { | |
"Code": "BIF", | |
"Formula": "C15H15NO2", | |
"Letter": "Ḳ", | |
"MolWeight": 241.11027872, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)c1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"5-bromo-l-isoleucine": { | |
"Code": "BIU", | |
"Formula": "C6H12BrNO2", | |
"Letter": "Ḵ", | |
"MolWeight": 209.005140724, | |
"SMILES": "N[C@@H]([C@@H](C)CCBr)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(3-benzothienyl)-alanine": { | |
"Code": "BTH3", | |
"Formula": "C11H11NO2S", | |
"Letter": "Ḷ", | |
"MolWeight": 221.051049592, | |
"SMILES": "N[C@@H](Cc1csc2c1cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"6-bromo-tryptophan": { | |
"Code": "BTR", | |
"Formula": "C11H11BrN2O2", | |
"Letter": "Ḹ", | |
"MolWeight": 282.000389692, | |
"SMILES": "N[C@@H](Cc1c[nH]c2c1ccc(c2)Br)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Tertleucine": { | |
"Code": "BUG", | |
"Formula": "C6H13NO2", | |
"Letter": "Ḻ", | |
"MolWeight": 131.094628656, | |
"SMILES": "N[C@@H](C(C)(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-chloro-l-alanine": { | |
"Code": "C2N", | |
"Formula": "C3H6ClNO2", | |
"Letter": "Ḽ", | |
"MolWeight": 123.008706112, | |
"SMILES": "N[C@@H](CCl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"canaline": { | |
"Code": "CAN", | |
"Formula": "C4H10N2O3", | |
"Letter": "Ḿ", | |
"MolWeight": 134.06914218, | |
"SMILES": "N[C@@H](CCON)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CCON*)C(=O)O", | |
}, | |
"carboxymethylated-cysteine": { | |
"Code": "CCS", | |
"Formula": "C5H9NO4S", | |
"Letter": "Ṁ", | |
"MolWeight": 179.025228768, | |
"SMILES": "N[C@@H](CSCC(=O)O)C(=O)O", | |
"cterm": "N[C@@H](CSCC*(=O))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Cyclohexylglycine": { | |
"Code": "CHG", | |
"Formula": "C8H15NO2", | |
"Letter": "М̇", | |
"MolWeight": 157.11027872, | |
"SMILES": "N[C@@H](C1CCCCC1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-chloro-4-hydroxy-phenylglycine": { | |
"Code": "CHP", | |
"Formula": "C8H8ClNO3", | |
"Letter": "Ṅ", | |
"MolWeight": 201.019270796, | |
"SMILES": "N[C@@H](c1ccc(c(c1)Cl)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Citrulline": { | |
"Code": "CIR", | |
"Formula": "C6H13N3O3", | |
"Letter": "Ṇ", | |
"MolWeight": 175.095691276, | |
"SMILES": "N[C@@H](CCC[NH]C(=O)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CCC[NH]C(=O)N*)C(=O)O", | |
}, | |
"2-cyano-phenylalanine": { | |
"Code": "CNP2", | |
"Formula": "C10H10N2O2", | |
"Letter": "Ṉ", | |
"MolWeight": 190.07422756, | |
"SMILES": "N[C@@H](Cc1ccccc1C#N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2,4-dichloro-phenylalanine": { | |
"Code": "CP24", | |
"Formula": "C9H9Cl2NO2", | |
"Letter": "Ṋ", | |
"MolWeight": 233.001033888, | |
"SMILES": "N[C@@H](Cc1ccc(cc1Cl)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3,4-dichloro-phenylalanine": { | |
"Code": "CP34", | |
"Formula": "C9H9Cl2NO2", | |
"Letter": "Ọ", | |
"MolWeight": 233.001033888, | |
"SMILES": "N[C@@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-Cyclopentyl-alanine": { | |
"Code": "CPA3", | |
"Formula": "C8H15NO2", | |
"Letter": "Ỏ", | |
"MolWeight": 157.11027872, | |
"SMILES": "N[C@@H](CC1CCCC1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-Chloro-phenylglycine": { | |
"Code": "CPG2", | |
"Formula": "C8H8ClNO2", | |
"Letter": "Ố", | |
"MolWeight": 185.024356176, | |
"SMILES": "N[C@@H](c1ccccc1Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-Chloro-phenylglycine": { | |
"Code": "CPG3", | |
"Formula": "C8H8ClNO2", | |
"Letter": "Ồ", | |
"MolWeight": 185.024356176, | |
"SMILES": "N[C@@H](c1cccc(c1)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-Chloro-phenylglycine": { | |
"Code": "CPG4", | |
"Formula": "C8H8ClNO2", | |
"Letter": "Ổ", | |
"MolWeight": 185.024356176, | |
"SMILES": "N[C@@H](c1ccc(cc1)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-chloro-Phenylalanine": { | |
"Code": "CPH2", | |
"Formula": "C9H10ClNO2", | |
"Letter": "Ỗ", | |
"MolWeight": 199.04000624, | |
"SMILES": "N[C@@H](Cc1ccccc1Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"s-acetonylcysteine": { | |
"Code": "CSA", | |
"Formula": "C6H11NO3S", | |
"Letter": "Ộ", | |
"MolWeight": 177.045964212, | |
"SMILES": "N[C@@H](CSCC(=O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Selenocysteine": { | |
"Code": "CSE", | |
"Formula": "C3H7NO2Se", | |
"Letter": "Ớ", | |
"MolWeight": 168.964199764, | |
"SMILES": "N[C@@H](C[SeH])C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"7-chloro-tryptophan": { | |
"Code": "CTE", | |
"Formula": "C11H11ClN2O2", | |
"Letter": "Ờ", | |
"MolWeight": 238.050905272, | |
"SMILES": "N[C@@H](Cc1cNc2c1cccc2Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-chloro-threonine": { | |
"Code": "CTH", | |
"Formula": "C4H8ClNO3", | |
"Letter": "Ở", | |
"MolWeight": 153.019270796, | |
"SMILES": "N[C@@H]([C@H](O)CCl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-Hydroxy-phenylglycine": { | |
"Code": "D4P", | |
"Formula": "C8H9NO3", | |
"Letter": "Ỡ", | |
"MolWeight": 167.058243148, | |
"SMILES": "N[C@@H](c1ccc(cc1)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Diaminobutyric-acid": { | |
"Code": "DAB", | |
"Formula": "C4H10N2O2", | |
"Letter": "Ợ", | |
"MolWeight": 118.07422756, | |
"SMILES": "N[C@@H](CCN)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CCN*)C(=O)O", | |
}, | |
"3,4-Dihydroxy-phenylalanine": { | |
"Code": "DAH", | |
"Formula": "C9H11NO4", | |
"Letter": "Ṍ", | |
"MolWeight": 197.068807832, | |
"SMILES": "N[C@@H](Cc1ccc(c(c1)O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3,5-dibromotyrosine": { | |
"Code": "DBY", | |
"Formula": "C9H9Br2NO3", | |
"Letter": "Ṏ", | |
"MolWeight": 336.894917348, | |
"SMILES": "N[C@@H](Cc1cc(Br)c(c(c1)Br)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3,3-dihydroxy-alanine": { | |
"Code": "DDZ", | |
"Formula": "C3H7NO4", | |
"Letter": "Ṑ", | |
"MolWeight": 121.037507704, | |
"SMILES": "N[C@@H](C(O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@@H](C(O)O*)C(=O)O", | |
"nterm": False, | |
}, | |
"Diethylalanine": { | |
"Code": "DILE", | |
"Formula": "C7H15NO2", | |
"Letter": "Ṓ", | |
"MolWeight": 145.11027872, | |
"SMILES": "N[C@@H](C(CC)CC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3,3-diphenylalanine": { | |
"Code": "DIPH", | |
"Formula": "C15H15NO2", | |
"Letter": "Ṕ", | |
"MolWeight": 241.11027872, | |
"SMILES": "N[C@@H]([C@H](c1ccccc1)c1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3,3-dimethyl-aspartic-acid": { | |
"Code": "DMK", | |
"Formula": "C6H11NO4", | |
"Letter": "Ṗ", | |
"MolWeight": 161.068807832, | |
"SMILES": "N[C@@H](C(C(=O)O)(C)C)C(=O)O", | |
"cterm": "N[C@@H](C(C*(=O))(C)C)C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-ethyl-phenylalanine": { | |
"Code": "DMP3", | |
"Formula": "C11H15NO2", | |
"Letter": "Ṙ", | |
"MolWeight": 193.11027872, | |
"SMILES": "N[C@@H](Cc1cc(CC)ccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2,3-Diaminopropanoic-acid": { | |
"Code": "DPP", | |
"Formula": "C3H8N2O2", | |
"Letter": "Ṛ", | |
"MolWeight": 104.058577496, | |
"SMILES": "N[C@@H](CN)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CN*)C(=O)O", | |
}, | |
"Ethionine": { | |
"Code": "ESC", | |
"Formula": "C6H13NO2S", | |
"Letter": "Ṝ", | |
"MolWeight": 163.066699656, | |
"SMILES": "N[C@@H](CCSCC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3,4-Difluoro-phenylalanine": { | |
"Code": "F2F", | |
"Formula": "C9H9F2NO2", | |
"Letter": "Ṟ", | |
"MolWeight": 201.060134968, | |
"SMILES": "N[C@@H](Cc1ccc(c(c1)F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-chloro-Phenylalanine": { | |
"Code": "FCL", | |
"Formula": "C9H10ClNO2", | |
"Letter": "Ṡ", | |
"MolWeight": 199.04000624, | |
"SMILES": "N[C@@H](Cc1cccc(c1)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-Fluoro-glutamic-acid": { | |
"Code": "FGA4", | |
"Formula": "C5H8FNO4", | |
"Letter": "Ṣ", | |
"MolWeight": 165.043735956, | |
"SMILES": "N[C@@H](C[C@H](F)C(=O)O)C(=O)O", | |
"cterm": "N[C@@H](C[C@H](F)C*(=O))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-amino-propanedioic-acid": { | |
"Code": "FGL", | |
"Formula": "C3H5NO4", | |
"Letter": "ẟ", | |
"MolWeight": 119.02185764000001, | |
"SMILES": "NC(C(=O)O)C(=O)O", | |
"cterm": "NC(C*(=O))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Trifluoro-alanine": { | |
"Code": "FLA", | |
"Formula": "C3H4F3NO2", | |
"Letter": "Ṧ", | |
"MolWeight": 143.019413028, | |
"SMILES": "N[C@@H](C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-Fluoro-phenylglycine": { | |
"Code": "FPG2", | |
"Formula": "C8H8FNO2", | |
"Letter": "Ṩ", | |
"MolWeight": 169.053906716, | |
"SMILES": "N[C@@H](c1ccccc1F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-Fluoro-phenylglycine": { | |
"Code": "FPG3", | |
"Formula": "C8H8FNO2", | |
"Letter": "Ṫ", | |
"MolWeight": 169.053906716, | |
"SMILES": "N[C@@H](c1cccc(c1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-Fluoro-phenylglycine": { | |
"Code": "FPG4", | |
"Formula": "C8H8FNO2", | |
"Letter": "Ṭ", | |
"MolWeight": 169.053906716, | |
"SMILES": "N[C@@H](c1ccc(cc1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-Fluoro-Phenylalanine": { | |
"Code": "FPH2", | |
"Formula": "C9H10FNO2", | |
"Letter": "T̃", | |
"MolWeight": 183.06955678, | |
"SMILES": "N[C@@H](Cc1ccccc1F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-Fluoro-Phenylalanine": { | |
"Code": "FPH3", | |
"Formula": "C9H10FNO2", | |
"Letter": "Ṱ", | |
"MolWeight": 183.06955678, | |
"SMILES": "N[C@@H](Cc1cccc(c1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"6-fluoro-l-tryptophan": { | |
"Code": "FT6", | |
"Formula": "C11H11FN2O2", | |
"Letter": "Ụ", | |
"MolWeight": 222.080455812, | |
"SMILES": "N[C@@H](Cc1cNc2c1ccc(c2)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"5-Fluoro-tryptophan": { | |
"Code": "FTR", | |
"Formula": "C11H11FN2O2", | |
"Letter": "Ủ", | |
"MolWeight": 222.080455812, | |
"SMILES": "N[C@@H](Cc1c[nH]c2c1cc(F)cc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"(2-furyl)-alanine": { | |
"Code": "FUA2", | |
"Formula": "C7H9NO3", | |
"Letter": "Ứ", | |
"MolWeight": 155.058243148, | |
"SMILES": "N[C@@H](Cc1ccco1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-Fluoro-valine": { | |
"Code": "FVAL", | |
"Formula": "C5H10FNO2", | |
"Letter": "Ừ", | |
"MolWeight": 135.06955678, | |
"SMILES": "N[C@@H](C(F)(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-Amino-4-guanidinobutryric-acid": { | |
"Code": "GBUT", | |
"Formula": "C5H14N4O2", | |
"Letter": "Ử", | |
"MolWeight": 162.111675688, | |
"SMILES": "N[C@@H](CCNC(N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CCNC(N*)N)C(=O)O", | |
}, | |
"2-Amino-3-guanidinopropionic-acid": { | |
"Code": "GDPR", | |
"Formula": "C4H12N4O2", | |
"Letter": "Ữ", | |
"MolWeight": 148.096025624, | |
"SMILES": "N[C@@H](CNC(N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CNC(N*)N)C(=O)O", | |
}, | |
"Canavanine": { | |
"Code": "GGB", | |
"Formula": "C5H12N4O3", | |
"Letter": "Ự", | |
"MolWeight": 176.090940244, | |
"SMILES": "N[C@@H](CCON=C(N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CCON=C(N*)N)C(=O)O", | |
}, | |
"(2s,4s)-2,5-diamino-4-hydroxy-5-oxopentanoic-acid": { | |
"Code": "GHG", | |
"Formula": "C5H10N2O4", | |
"Letter": "Ṳ", | |
"MolWeight": 162.0640568, | |
"SMILES": "N[C@@H](C[C@H](O)C(=O)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](C[C@H](O)C(=O)N*)C(=O)O", | |
}, | |
"5-o-methyl-glutamic-acid": { | |
"Code": "GME", | |
"Formula": "C6H11NO4", | |
"Letter": "Ṵ", | |
"MolWeight": 161.068807832, | |
"SMILES": "N[C@@H](CCC(=O)OC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"homocysteine": { | |
"Code": "HCS", | |
"Formula": "C4H9NO2S", | |
"Letter": "Ṷ", | |
"MolWeight": 135.035399528, | |
"SMILES": "N[C@@H](CCS)C(=O)O", | |
"cterm": False, | |
"disulphide": "N[C@@H](CCS*)C(=O)O", | |
"ester": False, | |
"nterm": False, | |
}, | |
"glutamine-hydroxamate": { | |
"Code": "HGA", | |
"Formula": "C5H10N2O4", | |
"Letter": "Ṹ", | |
"MolWeight": 162.0640568, | |
"SMILES": "N[C@@H](CCC(=O)NO)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"(2s)-2,8-diaminooctanoic-acid": { | |
"Code": "HHK", | |
"Formula": "C8H18N2O2", | |
"Letter": "Ṻ", | |
"MolWeight": 174.136827816, | |
"SMILES": "N[C@@H](CCCCCCN)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CCCCCCN*)C(=O)O", | |
}, | |
"4-Hydroxy-L-isoleucine": { | |
"Code": "HIL4", | |
"Formula": "C6H13NO3", | |
"Letter": "Ṽ", | |
"MolWeight": 147.089543276, | |
"SMILES": "N[C@@H]([C@H]([C@@H](C)O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"(2s,3r)-2-amino-3-hydroxy-4-methylpentanoic-acid": { | |
"Code": "HL2", | |
"Formula": "C6H13NO3", | |
"Letter": "Ṿ", | |
"MolWeight": 147.089543276, | |
"SMILES": "N[C@@H]([C@H](O)C(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Homoleucine": { | |
"Code": "HLEU", | |
"Formula": "C7H15NO2", | |
"Letter": "Ẁ", | |
"MolWeight": 145.11027872, | |
"SMILES": "N[C@@H](CCC(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"beta-hydroxyleucine": { | |
"Code": "HLU", | |
"Formula": "C6H13NO3", | |
"Letter": "Ẃ", | |
"MolWeight": 147.089543276, | |
"SMILES": "N[C@@H]([C@@H](O)C(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-amino-L-phenylalanine": { | |
"Code": "HOX", | |
"Formula": "C9H12N2O2", | |
"Letter": "Ẅ", | |
"MolWeight": 180.089877624, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](Cc1ccc(cc1)N*)C(=O)O", | |
}, | |
"Homophenylalanine": { | |
"Code": "HPE", | |
"Formula": "C10H13NO2", | |
"Letter": "Ẇ", | |
"MolWeight": 179.094628656, | |
"SMILES": "N[C@@H](CCc1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(8-hydroxyquinolin-3-yl)-l-alanine": { | |
"Code": "HQA", | |
"Formula": "C12H12N2O3", | |
"Letter": "Ẉ", | |
"MolWeight": 232.084792244, | |
"SMILES": "N[C@@H](Cc1cnc2c(c1)cccc2O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"homoarginine": { | |
"Code": "HRG", | |
"Formula": "C7H18N4O2", | |
"Letter": "Ẋ", | |
"MolWeight": 190.142975816, | |
"SMILES": "N[C@@H](CCCCNC(N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CCCCNC(N*)N)C(=O)O", | |
}, | |
"5-Hydroxy-tryptophan": { | |
"Code": "HRP", | |
"Formula": "C11H12N2O3", | |
"Letter": "Ẍ", | |
"MolWeight": 220.084792244, | |
"SMILES": "N[C@@H](Cc1cNc2c1cc(O)cc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"homoserine": { | |
"Code": "HSER", | |
"Formula": "C4H9NO3", | |
"Letter": "Ỳ", | |
"MolWeight": 119.058243148, | |
"SMILES": "N[C@@H](CCO)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@@H](CCO*)C(=O)O", | |
"nterm": False, | |
}, | |
"beta-hydroxy-tryptophane": { | |
"Code": "HTR", | |
"Formula": "C11H12N2O3", | |
"Letter": "Ỵ", | |
"MolWeight": 220.084792244, | |
"SMILES": "N[C@@H]([C@H](c1c[nH]c2c1cccc2)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-hydroxy-l-valine": { | |
"Code": "HVA", | |
"Formula": "C5H11NO3", | |
"Letter": "Ỷ", | |
"MolWeight": 133.073893212, | |
"SMILES": "N[C@@H](C(O)(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@@H](C(O*)(C)C)C(=O)O", | |
"nterm": False, | |
}, | |
"3-methyl-l-alloisoleucine": { | |
"Code": "I2M", | |
"Formula": "C7H15NO2", | |
"Letter": "Ỹ", | |
"MolWeight": 145.11027872, | |
"SMILES": "N[C@@H](C(CC)(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"alpha-amino-2-indanacetic-acid": { | |
"Code": "IGL", | |
"Formula": "C11H13NO2", | |
"Letter": "Ẏ", | |
"MolWeight": 191.094628656, | |
"SMILES": "N[C@@H](C1Cc2c(C1)cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Allo-Isoleucine": { | |
"Code": "IIL", | |
"Formula": "C6H13NO2", | |
"Letter": "Ẑ", | |
"MolWeight": 131.094628656, | |
"SMILES": "N[C@@H]([C@@H](CC)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4,5-dihydroxy-isoleucine": { | |
"Code": "ILX", | |
"Formula": "C6H13NO4", | |
"Letter": "Ẓ", | |
"MolWeight": 163.084457896, | |
"SMILES": "N[C@@H]([C@H]([C@H](CO)O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@@H]([C@H]([C@H](CO*)O)C)C(=O)O", | |
"nterm": False, | |
}, | |
"3-iodo-tyrosine": { | |
"Code": "IYR", | |
"Formula": "C9H10INO3", | |
"Letter": "Ẕ", | |
"MolWeight": 306.97054117999994, | |
"SMILES": "N[C@@H](Cc1ccc(c(c1)I)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"kynurenine": { | |
"Code": "KYN", | |
"Formula": "C10H12N2O3", | |
"Letter": "Ỻ", | |
"MolWeight": 208.084792244, | |
"SMILES": "N[C@@H](CC(=O)c1ccccc1N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CC(=O)c1ccccc1N*)C(=O)O", | |
}, | |
"6-hydroxy-l-norleucine": { | |
"Code": "LDO", | |
"Formula": "C6H13NO3", | |
"Letter": "Ỽ", | |
"MolWeight": 147.089543276, | |
"SMILES": "N[C@@H](CCCCO)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@@H](CCCCO*)C(=O)O", | |
"nterm": False, | |
}, | |
"Penicillamine": { | |
"Code": "LE1", | |
"Formula": "C5H11NO2S", | |
"Letter": "Ỿ", | |
"MolWeight": 149.051049592, | |
"SMILES": "N[C@@H](C(S)(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": "N[C@@H](C(S*)(C)C)C(=O)O", | |
"ester": False, | |
"nterm": False, | |
}, | |
"(4r)-5-oxo-l-leucine": { | |
"Code": "LED", | |
"Formula": "C6H11NO3", | |
"Letter": "Ÿ", | |
"MolWeight": 145.073893212, | |
"SMILES": "N[C@@H](C[C@@H](C)C=O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"(4s)-5-fluoro-l-leucine": { | |
"Code": "LEF", | |
"Formula": "C6H12FNO2", | |
"Letter": "Ý", | |
"MolWeight": 149.085206844, | |
"SMILES": "N[C@@H](C[C@H](C)CF)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"(3r)-3-methyl-l-glutamic-acid": { | |
"Code": "LME", | |
"Formula": "C6H11NO4", | |
"Letter": "Ā", | |
"MolWeight": 161.068807832, | |
"SMILES": "N[C@@H]([C@H](C)CC(=O)O)C(=O)O", | |
"cterm": "N[C@@H]([C@H](C)CC*(=O))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-methyl-l-glutamine": { | |
"Code": "LMQ", | |
"Formula": "C6H12N2O3", | |
"Letter": "Ă", | |
"MolWeight": 160.084792244, | |
"SMILES": "N[C@@H]([C@@H](C)CC(N)=O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"vinylglycine": { | |
"Code": "LVG", | |
"Formula": "C4H7NO2", | |
"Letter": "Ą", | |
"MolWeight": 101.047678464, | |
"SMILES": "N[C@@H](C=C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-oxo-l-valine": { | |
"Code": "LVN", | |
"Formula": "C5H9NO3", | |
"Letter": "Ć", | |
"MolWeight": 131.058243148, | |
"SMILES": "N[C@@H]([C@H](C)C=O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3,3-dimethyl-methionine-sulfoxide": { | |
"Code": "M2S", | |
"Formula": "C7H15NO3S", | |
"Letter": "Ƈ", | |
"MolWeight": 193.07726434, | |
"SMILES": "N[C@@H](C(C)(C)C[S@@](C)=O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"hydroxy-l-methionine": { | |
"Code": "ME0", | |
"Formula": "C5H11NO3S", | |
"Letter": "Ċ̦", | |
"MolWeight": 165.045964212, | |
"SMILES": "N[C@@H](CCSCO)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@@H](CCSCO*)C(=O)O", | |
"nterm": False, | |
}, | |
"(3s)-3-methyl-l-glutamic-acid": { | |
"Code": "MEG", | |
"Formula": "C6H11NO4", | |
"Letter": "Č", | |
"MolWeight": 161.068807832, | |
"SMILES": "N[C@@H]([C@@H](C)CC(=O)O)C(=O)O", | |
"cterm": "N[C@@H]([C@@H](C)CC*(=O))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"n-methyl-asparagine": { | |
"Code": "MEN", | |
"Formula": "C5H10N2O3", | |
"Letter": "Ď", | |
"MolWeight": 146.06914218, | |
"SMILES": "N[C@@H](CC(=O)NC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"n5-methyl-glutamine": { | |
"Code": "MEQ", | |
"Formula": "C6H12N2O3", | |
"Letter": "Đ", | |
"MolWeight": 160.084792244, | |
"SMILES": "N[C@@H](CCC(=O)NC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"s-oxymethionine": { | |
"Code": "MHO", | |
"Formula": "C5H11NO3S", | |
"Letter": "Ē", | |
"MolWeight": 165.045964212, | |
"SMILES": "N[C@@H](CC[S@](=O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"5-Methoxy-tryptophan": { | |
"Code": "MOT5", | |
"Formula": "C12H14N2O3", | |
"Letter": "Ĕ", | |
"MolWeight": 234.100442308, | |
"SMILES": "N[C@@H](Cc1cNc2ccc(OC)cc12)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3,4-Dimethyl-phenylalanine": { | |
"Code": "MP34", | |
"Formula": "C11H15NO2", | |
"Letter": "Ɛ", | |
"MolWeight": 193.11027872, | |
"SMILES": "N[C@@H](Cc1ccc(c(c1)C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-Methyl-phenylalanine": { | |
"Code": "MPH2", | |
"Formula": "C10H13NO2", | |
"Letter": "Ę", | |
"MolWeight": 179.094628656, | |
"SMILES": "N[C@@H](Cc1ccccc1C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"5-Methyl-tryptophan": { | |
"Code": "MTR5", | |
"Formula": "C12H14N2O2", | |
"Letter": "Ě", | |
"MolWeight": 218.105527688, | |
"SMILES": "N[C@@H](Cc1cNc2ccc(C)cc12)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"6-Methyl-tryptophan": { | |
"Code": "MTR6", | |
"Formula": "C12H14N2O2", | |
"Letter": "Ɠ", | |
"MolWeight": 218.105527688, | |
"SMILES": "N[C@@H](Cc1cNc2c1ccc(c2)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"m-Tyrosine": { | |
"Code": "MTY", | |
"Formula": "C9H11NO3", | |
"Letter": "Ğ", | |
"MolWeight": 181.073893212, | |
"SMILES": "N[C@@H](Cc1cccc(c1)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-Naphthyl-alanine": { | |
"Code": "NAL", | |
"Formula": "C13H13NO2", | |
"Letter": "Ġ", | |
"MolWeight": 215.094628656, | |
"SMILES": "N[C@@H](Cc1ccc2c(c1)cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"5-hydroxy-1-naphthalene": { | |
"Code": "NAO1", | |
"Formula": "C13H13NO3", | |
"Letter": "Ģ", | |
"MolWeight": 231.089543276, | |
"SMILES": "N[C@@H](Cc1cccc2c1cc(O)cc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"6-hydroxy-2-naphthalene": { | |
"Code": "NAO2", | |
"Formula": "C13H13NO3", | |
"Letter": "Ȟ", | |
"MolWeight": 231.089543276, | |
"SMILES": "N[C@@H](Cc1ccc2c(c1)cc(cc2)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"meta-nitro-tyrosine": { | |
"Code": "NIY", | |
"Formula": "C9H10N2O5", | |
"Letter": "Ħ", | |
"MolWeight": 226.05897142, | |
"SMILES": "N[C@@H](Cc1ccc(c(c1)N(=O)=O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Norleucine": { | |
"Code": "NLE", | |
"Formula": "C6H13NO2", | |
"Letter": "Ĩ", | |
"MolWeight": 131.094628656, | |
"SMILES": "N[C@@H](CCCC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Norvaline": { | |
"Code": "NVA", | |
"Formula": "C5H11NO2", | |
"Letter": "Ī", | |
"MolWeight": 117.078978592, | |
"SMILES": "N[C@@H](CCC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"o-acetylserine": { | |
"Code": "OAS", | |
"Formula": "C5H9NO4", | |
"Letter": "Ĭ", | |
"MolWeight": 147.053157768, | |
"SMILES": "N[C@@H](COC(=O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"(2s)-2-amino-4,4-difluorobutanoic-acid": { | |
"Code": "OBF", | |
"Formula": "C4H7F2NO2", | |
"Letter": "Į", | |
"MolWeight": 139.044484904, | |
"SMILES": "N[C@@H](CC(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"s-(2-hydroxyethyl)-l-cysteine": { | |
"Code": "OCY", | |
"Formula": "C5H11NO3S", | |
"Letter": "Þ", | |
"MolWeight": 165.045964212, | |
"SMILES": "N[C@@H](CSCCO)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@@H](CSCCO*)C(=O)O", | |
"nterm": False, | |
}, | |
"o-methyl-l-threonine": { | |
"Code": "OLT", | |
"Formula": "C5H11NO3", | |
"Letter": "IJ", | |
"MolWeight": 133.073893212, | |
"SMILES": "N[C@@H]([C@H](OC)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Methionine-sulfone": { | |
"Code": "OMT", | |
"Formula": "C5H11NO4S", | |
"Letter": "Ĵ", | |
"MolWeight": 181.040878832, | |
"SMILES": "N[C@@H](CCS(=O)(=O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"(betar)-beta-hydroxy-l-tyrosine": { | |
"Code": "OMX", | |
"Formula": "C9H11NO4", | |
"Letter": "Ķ", | |
"MolWeight": 197.068807832, | |
"SMILES": "N[C@@H]([C@@H](c1ccc(cc1)O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"(betar)-3-chloro-beta-hydroxy-l-tyrosine": { | |
"Code": "OMY", | |
"Formula": "C9H10ClNO4", | |
"Letter": "Ĺ", | |
"MolWeight": 231.02983548, | |
"SMILES": "N[C@@H]([C@@H](c1ccc(c(c1)Cl)O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"5-oxo-l-norleucine": { | |
"Code": "ONL", | |
"Formula": "C6H11NO3", | |
"Letter": "Ļ", | |
"MolWeight": 145.073893212, | |
"SMILES": "N[C@@H](CCC(=O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Ornithine": { | |
"Code": "ORN", | |
"Formula": "C5H12N2O2", | |
"Letter": "Ľ", | |
"MolWeight": 132.089877624, | |
"SMILES": "N[C@@H](CCCN)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CCCN*)C(=O)O", | |
}, | |
"o-Tyrosine": { | |
"Code": "OTYR", | |
"Formula": "C9H11NO3", | |
"Letter": "Ơ", | |
"MolWeight": 181.073893212, | |
"SMILES": "N[C@@H](Cc1ccccc1O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-benzoyl-phenylalanine": { | |
"Code": "PBF", | |
"Formula": "C16H15NO3", | |
"Letter": "Ƚ", | |
"MolWeight": 269.10519334, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"pentafluoro-phenylalanine": { | |
"Code": "PF5", | |
"Formula": "C9H6F5NO2", | |
"Letter": "Ń", | |
"MolWeight": 255.031869532, | |
"SMILES": "N[C@@H](Cc1c(F)c(F)c(c(c1F)F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-Fluoro-Phenylalanine": { | |
"Code": "PFF", | |
"Formula": "C9H10FNO2", | |
"Letter": "Ņ", | |
"MolWeight": 183.06955678, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-Iodo-Phenylalanine": { | |
"Code": "PHI", | |
"Formula": "C9H10INO2", | |
"Letter": "Ň", | |
"MolWeight": 290.97562655999997, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)I)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-Nitro-phenylalanine": { | |
"Code": "PPN", | |
"Formula": "C9H10N2O4", | |
"Letter": "Ŋ", | |
"MolWeight": 210.0640568, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)N(=O)=O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"phosphotyrosine": { | |
"Code": "PTR", | |
"Formula": "C9H12NO6P", | |
"Letter": "Ō", | |
"MolWeight": 261.04022373400005, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(2-Pyridyl)-alanine": { | |
"Code": "PYR2", | |
"Formula": "C8H10N2O2", | |
"Letter": "Ŏ", | |
"MolWeight": 166.07422756, | |
"SMILES": "N[C@@H](Cc1ccccn1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(3-Pyridyl)-alanine": { | |
"Code": "PYR3", | |
"Formula": "C8H10N2O2", | |
"Letter": "Ő", | |
"MolWeight": 166.07422756, | |
"SMILES": "N[C@@H](Cc1cccnc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(4-Pyridyl)-alanine": { | |
"Code": "PYR4", | |
"Formula": "C8H10N2O2", | |
"Letter": "Œ", | |
"MolWeight": 166.07422756, | |
"SMILES": "N[C@@H](Cc1ccncc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(1-Pyrazolyl)-alanine": { | |
"Code": "PYZ1", | |
"Formula": "C6H9N3O2", | |
"Letter": "Ŕ", | |
"MolWeight": 155.069476528, | |
"SMILES": "N[C@@H](Cn1cccn1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(2-Quinolyl)-alanine": { | |
"Code": "QU32", | |
"Formula": "C12H12N2O2", | |
"Letter": "Ŗ", | |
"MolWeight": 216.089877624, | |
"SMILES": "N[C@@H](Cc1ccc2c(n1)cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(3-quinolyl)-alanine": { | |
"Code": "QU33", | |
"Formula": "C12H12N2O2", | |
"Letter": "Ř", | |
"MolWeight": 216.089877624, | |
"SMILES": "N[C@@H](Cc1cnc2c(c1)cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(4-quinolyl)-alanine": { | |
"Code": "QU34", | |
"Formula": "C12H12N2O2", | |
"Letter": "Ś", | |
"MolWeight": 216.089877624, | |
"SMILES": "N[C@@H](Cc1ccnc2c1cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(5-Quinolyl)-alanine": { | |
"Code": "QU35", | |
"Formula": "C12H12N2O2", | |
"Letter": "Ŝ", | |
"MolWeight": 216.089877624, | |
"SMILES": "N[C@@H](Cc1ccc2c(c1)nccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(6-Quinolyl)-alanine": { | |
"Code": "QU36", | |
"Formula": "C12H12N2O2", | |
"Letter": "Ş", | |
"MolWeight": 216.089877624, | |
"SMILES": "N[C@@H](Cc1ccc2c(c1)cncc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(2-quinoxalyl)-alanine": { | |
"Code": "QX32", | |
"Formula": "C11H11N3O2", | |
"Letter": "Š", | |
"MolWeight": 217.085126592, | |
"SMILES": "N[C@@H](Cc1cnc2c(n1)cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"phosphoserine": { | |
"Code": "SEP", | |
"Formula": "C3H8NO6P", | |
"Letter": "Ţ", | |
"MolWeight": 185.008923606, | |
"SMILES": "N[C@@H](COP(=O)(O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"thialysine": { | |
"Code": "SLZ", | |
"Formula": "C5H12N2O2S", | |
"Letter": "Ť", | |
"MolWeight": 164.061948624, | |
"SMILES": "N[C@@H](CSCCN)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CSCCN*)C(=O)O", | |
}, | |
"Methionine-sulfoxide": { | |
"Code": "SME", | |
"Formula": "C5H11NO3S", | |
"Letter": "Ŧ", | |
"MolWeight": 165.045964212, | |
"SMILES": "N[C@@H](CC[S@](=O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Styrylalanine": { | |
"Code": "STYA", | |
"Formula": "C11H13NO2", | |
"Letter": "Ũ", | |
"MolWeight": 191.094628656, | |
"SMILES": "N[C@@H](CC=Cc1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2s,4r-4-methylglutamate": { | |
"Code": "SYM", | |
"Formula": "C6H11NO4", | |
"Letter": "Ū", | |
"MolWeight": 161.068807832, | |
"SMILES": "N[C@@H](C[C@H](C(=O)O)C)C(=O)O", | |
"cterm": "N[C@@H](C[C@H](C*(=O))C)C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-tert-butyl-phenylalanine": { | |
"Code": "TBP4", | |
"Formula": "C13H19NO2", | |
"Letter": "Ŭ", | |
"MolWeight": 221.141578848, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)C(C)(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(2-Tetrazolyl)-alanine": { | |
"Code": "TEZA", | |
"Formula": "C4H7N5O2", | |
"Letter": "Ů", | |
"MolWeight": 157.059974464, | |
"SMILES": "N[C@@H](Cn1nncn1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-(Trifluoromethyl)-phenylglycine": { | |
"Code": "TFG2", | |
"Formula": "C9H8F3NO2", | |
"Letter": "Ű", | |
"MolWeight": 219.050713156, | |
"SMILES": "N[C@@H](c1ccccc1C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(Trifluoromethyl)-phenylglycine": { | |
"Code": "TFG3", | |
"Formula": "C9H8F3NO2", | |
"Letter": "Ų", | |
"MolWeight": 219.050713156, | |
"SMILES": "N[C@@H](c1cccc(c1)C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-(Trifluoromethyl)-phenylglycine": { | |
"Code": "TFG4", | |
"Formula": "C9H8F3NO2", | |
"Letter": "Ŵ", | |
"MolWeight": 219.050713156, | |
"SMILES": "N[C@@H](c1ccc(cc1)C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"5,5,5-Trifluoro-leucine": { | |
"Code": "TFLE", | |
"Formula": "C6H10F3NO2", | |
"Letter": "Ƭ", | |
"MolWeight": 185.06636322, | |
"SMILES": "N[C@@H](C[C@@H](C(F)(F)F)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-(Trifluoromethyl)-phenylalanine": { | |
"Code": "TFP2", | |
"Formula": "C10H10F3NO2", | |
"Letter": "Ź", | |
"MolWeight": 233.06636322, | |
"SMILES": "N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(Trifluoromethyl)-phenylalanine": { | |
"Code": "TFP3", | |
"Formula": "C10H10F3NO2", | |
"Letter": "Ż", | |
"MolWeight": 233.06636322, | |
"SMILES": "N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-(Trifluoromethyl)-phenylalanine": { | |
"Code": "TFP4", | |
"Formula": "C10H10F3NO2", | |
"Letter": "Ž", | |
"MolWeight": 233.06636322, | |
"SMILES": "N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"4-hydroxy-l-threonine": { | |
"Code": "TH6", | |
"Formula": "C4H9NO4", | |
"Letter": "À", | |
"MolWeight": 135.053157768, | |
"SMILES": "N[C@@H]([C@H](O)CO)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@@H]([C@H](O)CO*)C(=O)O", | |
"nterm": False, | |
}, | |
"3-(3-thienyl)-alanine": { | |
"Code": "THA3", | |
"Formula": "C7H9NO2S", | |
"Letter": "Á", | |
"MolWeight": 171.035399528, | |
"SMILES": "N[C@@H](Cc1cscc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-thienylglycine": { | |
"Code": "THG2", | |
"Formula": "C6H7NO2S", | |
"Letter": "Â", | |
"MolWeight": 157.019749464, | |
"SMILES": "N[C@@H](c1cccs1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-thienylglycine": { | |
"Code": "THG3", | |
"Formula": "C6H7NO2S", | |
"Letter": "Ã", | |
"MolWeight": 157.019749464, | |
"SMILES": "N[C@@H](c1cscc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Thio-citrulline": { | |
"Code": "THIC", | |
"Formula": "C6H13N3O2S", | |
"Letter": "Ä", | |
"MolWeight": 191.072847656, | |
"SMILES": "N[C@@H](CCCNC(=S)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CCCNC(=S)N*)C(=O)O", | |
}, | |
"3-(2-thienyl)-alanine": { | |
"Code": "TIH", | |
"Formula": "C7H9NO2S", | |
"Letter": "Å", | |
"MolWeight": 171.035399528, | |
"SMILES": "N[C@@H](Cc1cccs1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"phosphothreonine": { | |
"Code": "TPO", | |
"Formula": "C4H10NO6P", | |
"Letter": "Æ", | |
"MolWeight": 199.02457367, | |
"SMILES": "N[C@@H]([C@H](OP(=O)(O)O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-hydroxy-tryptophan": { | |
"Code": "TRO", | |
"Formula": "C11H12N2O3", | |
"Letter": "Ç", | |
"MolWeight": 220.084792244, | |
"SMILES": "N[C@@H](Cc1c(O)[nH]c2c1cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"6-hydroxy-tryptophan": { | |
"Code": "TRX", | |
"Formula": "C11H12N2O3", | |
"Letter": "È", | |
"MolWeight": 220.084792244, | |
"SMILES": "N[C@@H](Cc1c[nH]c2c1ccc(c2)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-(1,2,4-Triazol-1-yl)-alanine": { | |
"Code": "TRZ4", | |
"Formula": "C5H8N4O2", | |
"Letter": "É", | |
"MolWeight": 156.064725496, | |
"SMILES": "N[C@@H](Cn1cncn1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"6-amino-7-hydroxy-l-tryptophan": { | |
"Code": "TTQ", | |
"Formula": "C11H13N3O3", | |
"Letter": "Ê", | |
"MolWeight": 235.095691276, | |
"SMILES": "N[C@@H](Cc1c[nH]c2c1ccc(c2O)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](Cc1c[nH]c2c1ccc(c2O)N*)C(=O)O", | |
}, | |
"3-Amino-L-tyrosine": { | |
"Code": "TY2", | |
"Formula": "C9H12N2O3", | |
"Letter": "Ë", | |
"MolWeight": 196.084792244, | |
"SMILES": "N[C@@H](Cc1ccc(c(c1)N)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3,5-diiodotyrosine": { | |
"Code": "TYI", | |
"Formula": "C9H9I2NO3", | |
"Letter": "Ì", | |
"MolWeight": 432.8671891479999, | |
"SMILES": "N[C@@H](Cc1cc(I)c(c(c1)I)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3-amino-6-hydroxy-tyrosine": { | |
"Code": "TYQ", | |
"Formula": "C9H12N2O4", | |
"Letter": "Í", | |
"MolWeight": 212.079706864, | |
"SMILES": "N[C@@H](Cc1cc(N)c(cc1O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"(4-thiazolyl)-alanine": { | |
"Code": "TZA4", | |
"Formula": "C6H8N2O2S", | |
"Letter": "Î", | |
"MolWeight": 172.030648496, | |
"SMILES": "N[C@@H](Cc1cscn1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"2-Aminoadipic-acid": { | |
"Code": "UN1", | |
"Formula": "C6H11NO4", | |
"Letter": "Ï", | |
"MolWeight": 161.068807832, | |
"SMILES": "N[C@@H](CCCC(=O)O)C(=O)O", | |
"cterm": "N[C@@H](CCCC*(=O))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"Hydroxynorvaline": { | |
"Code": "VAH", | |
"Formula": "C5H11NO3", | |
"Letter": "Ð", | |
"MolWeight": 133.073893212, | |
"SMILES": "N[C@@H]([C@H](O)CC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"3,5-Difluoro-phenylalanine": { | |
"Code": "WFP", | |
"Formula": "C9H9F2NO2", | |
"Letter": "Ñ", | |
"MolWeight": 201.060134968, | |
"SMILES": "N[C@@H](Cc1cc(F)cc(c1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"cysteine-s-acetamide": { | |
"Code": "YCM", | |
"Formula": "C5H10N2O3S", | |
"Letter": "Ò", | |
"MolWeight": 178.04121318, | |
"SMILES": "N[C@@H](CSCC(=O)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@@H](CSCC(=O)N*)C(=O)O", | |
}, | |
"3-fluorotyrosine": { | |
"Code": "YOF", | |
"Formula": "C9H10FNO3", | |
"Letter": "Ó", | |
"MolWeight": 199.0644714, | |
"SMILES": "N[C@@H](Cc1ccc(c(c1)F)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Phenylglycine": { | |
"Code": "DPG", | |
"Formula": "C8H9NO2", | |
"Letter": "ḁ", | |
"MolWeight": 151.063328528, | |
"SMILES": "N[C@H](c1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-methoxy-Phenylalanine": { | |
"Code": "D0A1", | |
"Formula": "C10H13NO3", | |
"Letter": "ạ", | |
"MolWeight": 195.089543276, | |
"SMILES": "N[C@H](Cc1ccc(OC)cc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-7-hydroxy-l-tryptophan": { | |
"Code": "D0AF", | |
"Formula": "C11H12N2O3", | |
"Letter": "ả", | |
"MolWeight": 220.084792244, | |
"SMILES": "N[C@H](Cc1c[nH]c2c1cccc2O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-carbamimidoyl-l-phenylalanine": { | |
"Code": "D0BN", | |
"Formula": "C10H13N3O2", | |
"Letter": "ấ", | |
"MolWeight": 207.100776656, | |
"SMILES": "N[C@H](Cc1ccc(cc1)C(=N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](Cc1ccc(cc1)C(=N)N*)C(=O)O", | |
}, | |
"d-4-chloro-Phenylalanine": { | |
"Code": "D200", | |
"Formula": "C9H10ClNO2", | |
"Letter": "ầ", | |
"MolWeight": 199.04000624, | |
"SMILES": "N[C@H](Cc1ccc(cc1)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-Allyl-glycine": { | |
"Code": "D2AG", | |
"Formula": "C7H11NO5", | |
"Letter": "ẫ", | |
"MolWeight": 189.063722452, | |
"SMILES": "N[C@H](CCCC(C(=O)O)=O)C(=O)O", | |
"cterm": "N[C@H](CCCC(C*(=O))=O)C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-methyl-aspartic-acid": { | |
"Code": "D2AS", | |
"Formula": "C5H9NO4", | |
"Letter": "ậ", | |
"MolWeight": 147.053157768, | |
"SMILES": "N[C@@H]([C@H](C)(C(=O)O))C(=O)O", | |
"cterm": "N[C@@H]([C@H](C)(C*(=O)))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-s-(difluoromethyl)-homocysteine": { | |
"Code": "D2FM", | |
"Formula": "C5H9F2NO2S", | |
"Letter": "ắ", | |
"MolWeight": 185.032205968, | |
"SMILES": "N[C@H](CCSC(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-fluoro-l-histidine": { | |
"Code": "D2HF", | |
"Formula": "C6H12FN3O2", | |
"Letter": "ằ", | |
"MolWeight": 177.091354844, | |
"SMILES": "N[C@H](C[C@@H]1CN[C@@H](N1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-fluoro-l-histidine(1)": { | |
"Code": "D2H1", | |
"Formula": "C6H8FN3O2", | |
"Letter": "ẳ", | |
"MolWeight": 173.060054716, | |
"SMILES": "N[C@H](Cc1cnc(F)N1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-fluoro-l-histidine(2)": { | |
"Code": "D2H2", | |
"Formula": "C6H8FN3O2", | |
"Letter": "ẵ", | |
"MolWeight": 173.060054716, | |
"SMILES": "N[C@H](Cc1c[nH]c(n1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-l-2-amino-6-methylene-pimelic-acid": { | |
"Code": "D2NP", | |
"Formula": "C8H13NO4", | |
"Letter": "ặ", | |
"MolWeight": 187.084457896, | |
"SMILES": "N[C@H](CCCC(=C)C(=O)O)C(=O)O", | |
"cterm": "N[C@H](CCCC(=C)C*(=O))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine": { | |
"Code": "D32T", | |
"Formula": "C9H10N2O2S", | |
"Letter": "ḃ", | |
"MolWeight": 210.04629856, | |
"SMILES": "N[C@@H](Cc1c[nH]c2c1scc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-cyano-phenylalanine": { | |
"Code": "D3CF", | |
"Formula": "C10H10N2O2", | |
"Letter": "ḅ", | |
"MolWeight": 190.07422756, | |
"SMILES": "N[C@H](Cc1cccc(C#N)c1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-(2s)-amino(3,5-dihydroxyphenyl)-ethanoic-acid": { | |
"Code": "D3FG", | |
"Formula": "C8H9NO4", | |
"Letter": "ḇ", | |
"MolWeight": 183.053157768, | |
"SMILES": "N[C@H](c1cc(O)cc(c1)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-hydroxy-glutamic-acid": { | |
"Code": "D3GL", | |
"Formula": "C5H9NO5", | |
"Letter": "ḉ", | |
"MolWeight": 163.048072388, | |
"SMILES": "N[C@H](C[C@@H](C(=O)O)O)C(=O)O", | |
"cterm": "N[C@H](C[C@@H](C*(=O))O)C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-Chloro-tyrosine": { | |
"Code": "D3MY", | |
"Formula": "C9H10ClNO3", | |
"Letter": "ḋ", | |
"MolWeight": 215.03492086, | |
"SMILES": "N[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-Bromo-phenylalanine": { | |
"Code": "D4BF", | |
"Formula": "C9H10BrNO2", | |
"Letter": "ḍ", | |
"MolWeight": 242.98949066, | |
"SMILES": "N[C@H](Cc1ccc(cc1)Br)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-cyano-phenylalanine": { | |
"Code": "D4CF", | |
"Formula": "C10H10N2O2", | |
"Letter": "ḏ", | |
"MolWeight": 190.07422756, | |
"SMILES": "N[C@H](Cc1ccc(cc1)C#N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-nitrilo-l-methionine": { | |
"Code": "D4CY", | |
"Formula": "C5H8N2O2S", | |
"Letter": "ḑ", | |
"MolWeight": 160.030648496, | |
"SMILES": "N[C@H](CCSC#N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-fluoro-tryptophan": { | |
"Code": "D4FW", | |
"Formula": "C11H11FN2O2", | |
"Letter": "ḓ", | |
"MolWeight": 222.080455812, | |
"SMILES": "N[C@H](Cc1c[nH]c2c1c(F)ccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-hydroxymethyl-phenylalanine": { | |
"Code": "D4HZ", | |
"Formula": "C10H13NO3", | |
"Letter": "ḕ", | |
"MolWeight": 195.089543276, | |
"SMILES": "N[C@H](Cc1ccc(CO)cc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-hydroxy-tryptophan": { | |
"Code": "D4HT", | |
"Formula": "C11H12N2O3", | |
"Letter": "ḗ", | |
"MolWeight": 220.084792244, | |
"SMILES": "N[C@H](Cc1c[nH]c2c1c(O)ccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-amino-l-tryptophan": { | |
"Code": "D4IN", | |
"Formula": "C11H13N3O2", | |
"Letter": "ḙ", | |
"MolWeight": 219.100776656, | |
"SMILES": "N[C@H](Cc1c[nH]c2c1c(N)ccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-methyl-phenylalanine": { | |
"Code": "D4PH", | |
"Formula": "C10H13NO2", | |
"Letter": "ḛ", | |
"MolWeight": 179.094628656, | |
"SMILES": "N[C@H](Cc1ccc(cc1)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-6-carboxylysine": { | |
"Code": "D6CL", | |
"Formula": "C7H14N2O4", | |
"Letter": "ḝ", | |
"MolWeight": 190.095356928, | |
"SMILES": "N[C@H](CCC[C@H](C(=O)O)N)C(=O)O", | |
"cterm": "N[C@H](CCC[C@H](C*(=O))N)C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CCC[C@H](C(=O)O)N*)C(=O)O", | |
}, | |
"d-6-chloro-l-tryptophan": { | |
"Code": "D6CW", | |
"Formula": "C11H11ClN2O2", | |
"Letter": "ẹ", | |
"MolWeight": 238.050905272, | |
"SMILES": "N[C@H](Cc1c[nH]c2c1ccc(c2)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-amino-5-hydroxypentanoic-acid": { | |
"Code": "DAA4", | |
"Formula": "C5H11NO3", | |
"Letter": "ẻ", | |
"MolWeight": 133.073893212, | |
"SMILES": "N[C@H](CCCO)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@H](CCCO*)C(=O)O", | |
"nterm": False, | |
}, | |
"d-2-Aminobutyric-acid": { | |
"Code": "DABA", | |
"Formula": "C4H9NO2", | |
"Letter": "ẽ", | |
"MolWeight": 103.063328528, | |
"SMILES": "N[C@H](CC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-cis-amiclenomycin": { | |
"Code": "DACZ", | |
"Formula": "C10H16N2O2", | |
"Letter": "ế", | |
"MolWeight": 196.121177752, | |
"SMILES": "N[C@H](CC[C@@H]1C=C[C@@H](C=C1)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CC[C@@H]1C=C[C@@H](C=C1)N*)C(=O)O", | |
}, | |
"d-Adamanthane": { | |
"Code": "DADM", | |
"Formula": "C13H21NO2", | |
"Letter": "ề", | |
"MolWeight": 223.157228912, | |
"SMILES": "N[C@H](C[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-5-methyl-arginine": { | |
"Code": "DAGM", | |
"Formula": "C7H16N4O2", | |
"Letter": "ể", | |
"MolWeight": 188.127325752, | |
"SMILES": "N[C@H](CC[C@H](C)NC(=N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CC[C@H](C)NC(=N*)N)C(=O)O", | |
}, | |
"d-beta-hydroxyasparagine": { | |
"Code": "DAHB", | |
"Formula": "C4H8N2O4", | |
"Letter": "ễ", | |
"MolWeight": 148.048406736, | |
"SMILES": "N[C@H]([C@@H](C(=O)N)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-Aminoheptanoic-acid": { | |
"Code": "DAHP", | |
"Formula": "C7H15NO2", | |
"Letter": "ệ", | |
"MolWeight": 145.11027872, | |
"SMILES": "N[C@H](CCCCC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-cyclohexyl-alanine": { | |
"Code": "DALC", | |
"Formula": "C9H17NO2", | |
"Letter": "ḟ", | |
"MolWeight": 171.125928784, | |
"SMILES": "N[C@H](CC1CCCCC1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-1-Naphthyl-alanine": { | |
"Code": "DALN", | |
"Formula": "C13H13NO2", | |
"Letter": "ḡ", | |
"MolWeight": 215.094628656, | |
"SMILES": "N[C@H](Cc1cccc2c1cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Allo-threonine": { | |
"Code": "DALO", | |
"Formula": "C4H9NO3", | |
"Letter": "ḣ", | |
"MolWeight": 119.058243148, | |
"SMILES": "N[C@H]([C@H](C)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(9-anthryl)-alanine": { | |
"Code": "DNTL", | |
"Formula": "C17H15NO2", | |
"Letter": "ḥ", | |
"MolWeight": 265.11027872, | |
"SMILES": "N[C@H](Cc1c2ccccc2cc2c1cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-Methyl-phenylalanine": { | |
"Code": "DAPD", | |
"Formula": "C10H13NO2", | |
"Letter": "ḧ", | |
"MolWeight": 179.094628656, | |
"SMILES": "N[C@H](Cc1cccc(c1)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-m-amidinophenyl-3-alanine": { | |
"Code": "DAPM", | |
"Formula": "C10H13N3O2", | |
"Letter": "ḩ", | |
"MolWeight": 207.100776656, | |
"SMILES": "N[C@H](Cc1cccc(c1)C(=N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](Cc1cccc(c1)C(=N*)N)C(=O)O", | |
}, | |
"d-c-gamma-hydroxy-arginine": { | |
"Code": "DARO", | |
"Formula": "C6H14N4O3", | |
"Letter": "ḫ", | |
"MolWeight": 190.106590308, | |
"SMILES": "N[C@H](C[C@@H](O)CN=C(N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](C[C@@H](O)CN=C(N)N*)C(=O)O", | |
}, | |
"d-(2r)-2-amino-4-oxobutanoic-acid": { | |
"Code": "DAS2", | |
"Formula": "C4H7NO3", | |
"Letter": "ỉ", | |
"MolWeight": 117.042593084, | |
"SMILES": "N[C@H](CC=O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-azido-alanine": { | |
"Code": "DZDA", | |
"Formula": "C3H7N4O2+", | |
"Letter": "ị", | |
"MolWeight": 131.05635188409, | |
"SMILES": "N[C@H](CN=[N+]=N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Phenylserine": { | |
"Code": "DBB8", | |
"Formula": "C9H11NO3", | |
"Letter": "ḭ", | |
"MolWeight": 181.073893212, | |
"SMILES": "N[C@H]([C@@H](O)c1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-benzylcysteine": { | |
"Code": "DBCS", | |
"Formula": "C10H13NO2S", | |
"Letter": "ḯ", | |
"MolWeight": 211.066699656, | |
"SMILES": "N[C@H](CSCc1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-beta-hydroxyaspartic-acid": { | |
"Code": "DBHD", | |
"Formula": "C4H7NO5", | |
"Letter": "ḱ", | |
"MolWeight": 149.032422324, | |
"SMILES": "N[C@H]([C@H](O)C(=O)O)C(=O)O", | |
"cterm": "N[C@H]([C@H](O)C*(=O))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4,4-biphenylalanine": { | |
"Code": "DBIF", | |
"Formula": "C15H15NO2", | |
"Letter": "ḳ", | |
"MolWeight": 241.11027872, | |
"SMILES": "N[C@H](Cc1ccc(cc1)c1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-5-bromo-l-isoleucine": { | |
"Code": "DBIU", | |
"Formula": "C6H12BrNO2", | |
"Letter": "ḵ", | |
"MolWeight": 209.005140724, | |
"SMILES": "N[C@H]([C@@H](C)CCBr)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(3-benzothienyl)-alanine": { | |
"Code": "DTH9", | |
"Formula": "C11H11NO2S", | |
"Letter": "ḷ", | |
"MolWeight": 221.051049592, | |
"SMILES": "N[C@H](Cc1csc2c1cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-6-bromo-tryptophan": { | |
"Code": "DBTR", | |
"Formula": "C11H11BrN2O2", | |
"Letter": "ḹ", | |
"MolWeight": 282.000389692, | |
"SMILES": "N[C@H](Cc1c[nH]c2c1ccc(c2)Br)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Tertleucine": { | |
"Code": "DBUG", | |
"Formula": "C6H13NO2", | |
"Letter": "ḻ", | |
"MolWeight": 131.094628656, | |
"SMILES": "N[C@H](C(C)(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-chloro-l-alanine": { | |
"Code": "DC2N", | |
"Formula": "C3H6ClNO2", | |
"Letter": "ḽ", | |
"MolWeight": 123.008706112, | |
"SMILES": "N[C@H](CCl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-canaline": { | |
"Code": "DCAN", | |
"Formula": "C4H10N2O3", | |
"Letter": "ḿ", | |
"MolWeight": 134.06914218, | |
"SMILES": "N[C@H](CCON)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-carboxymethylated-cysteine": { | |
"Code": "DCCS", | |
"Formula": "C5H9NO4S", | |
"Letter": "ṁ", | |
"MolWeight": 179.025228768, | |
"SMILES": "N[C@H](CSCC(=O)O)C(=O)O", | |
"cterm": "N[C@H](CSCC*(=O))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Cyclohexylglycine": { | |
"Code": "DCHG", | |
"Formula": "C8H15NO2", | |
"Letter": "м̇", | |
"MolWeight": 157.11027872, | |
"SMILES": "N[C@H](C1CCCCC1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-chloro-4-hydroxy-phenylglycine": { | |
"Code": "DCHP", | |
"Formula": "C8H8ClNO3", | |
"Letter": "ṅ", | |
"MolWeight": 201.019270796, | |
"SMILES": "N[C@H](c1ccc(c(c1)Cl)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Citrulline": { | |
"Code": "DCIR", | |
"Formula": "C6H13N3O3", | |
"Letter": "ṇ", | |
"MolWeight": 175.095691276, | |
"SMILES": "N[C@H](CCC[NH]C(=O)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CCC[NH]C(=O)N*)C(=O)O", | |
}, | |
"d-2-cyano-phenylalanine": { | |
"Code": "D2CF", | |
"Formula": "C10H10N2O2", | |
"Letter": "ṉ", | |
"MolWeight": 190.07422756, | |
"SMILES": "N[C@H](Cc1ccccc1C#N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2,4-dichloro-phenylalanine": { | |
"Code": "D24E", | |
"Formula": "C9H9Cl2NO2", | |
"Letter": "ṋ", | |
"MolWeight": 233.001033888, | |
"SMILES": "N[C@H](Cc1ccc(cc1Cl)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3,4-dichloro-phenylalanine": { | |
"Code": "D34E", | |
"Formula": "C9H9Cl2NO2", | |
"Letter": "ọ", | |
"MolWeight": 233.001033888, | |
"SMILES": "N[C@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-Cyclopentyl-alanine": { | |
"Code": "DCPE", | |
"Formula": "C8H15NO2", | |
"Letter": "ỏ", | |
"MolWeight": 157.11027872, | |
"SMILES": "N[C@H](CC1CCCC1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-Chloro-phenylglycine": { | |
"Code": "DCG6", | |
"Formula": "C8H8ClNO2", | |
"Letter": "ố", | |
"MolWeight": 185.024356176, | |
"SMILES": "N[C@H](c1ccccc1Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-Chloro-phenylglycine": { | |
"Code": "DCG5", | |
"Formula": "C8H8ClNO2", | |
"Letter": "ồ", | |
"MolWeight": 185.024356176, | |
"SMILES": "N[C@H](c1cccc(c1)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-Chloro-phenylglycine": { | |
"Code": "DCGD", | |
"Formula": "C8H8ClNO2", | |
"Letter": "ổ", | |
"MolWeight": 185.024356176, | |
"SMILES": "N[C@H](c1ccc(cc1)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-chloro-Phenylalanine": { | |
"Code": "DCF6", | |
"Formula": "C9H10ClNO2", | |
"Letter": "ỗ", | |
"MolWeight": 199.04000624, | |
"SMILES": "N[C@H](Cc1ccccc1Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-s-acetonylcysteine": { | |
"Code": "DCSA", | |
"Formula": "C6H11NO3S", | |
"Letter": "ộ", | |
"MolWeight": 177.045964212, | |
"SMILES": "N[C@H](CSCC(=O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Selenocysteine": { | |
"Code": "DCSE", | |
"Formula": "C3H7NO2Se", | |
"Letter": "ớ", | |
"MolWeight": 168.964199764, | |
"SMILES": "N[C@H](C[SeH])C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-7-chloro-tryptophan": { | |
"Code": "DCTE", | |
"Formula": "C11H11ClN2O2", | |
"Letter": "ờ", | |
"MolWeight": 238.050905272, | |
"SMILES": "N[C@H](Cc1cNc2c1cccc2Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-chloro-threonine": { | |
"Code": "DCTH", | |
"Formula": "C4H8ClNO3", | |
"Letter": "ở", | |
"MolWeight": 153.019270796, | |
"SMILES": "N[C@H]([C@H](O)CCl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-Hydroxy-phenylglycine": { | |
"Code": "DD4P", | |
"Formula": "C8H9NO3", | |
"Letter": "ỡ", | |
"MolWeight": 167.058243148, | |
"SMILES": "N[C@H](c1ccc(cc1)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Diaminobutyric-acid": { | |
"Code": "DDAB", | |
"Formula": "C4H10N2O2", | |
"Letter": "ợ", | |
"MolWeight": 118.07422756, | |
"SMILES": "N[C@H](CCN)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CCN*)C(=O)O", | |
}, | |
"d-3,4-Dihydroxy-phenylalanine": { | |
"Code": "DDAH", | |
"Formula": "C9H11NO4", | |
"Letter": "ṍ", | |
"MolWeight": 197.068807832, | |
"SMILES": "N[C@H](Cc1ccc(c(c1)O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3,5-dibromotyrosine": { | |
"Code": "DDBY", | |
"Formula": "C9H9Br2NO3", | |
"Letter": "ṏ", | |
"MolWeight": 336.894917348, | |
"SMILES": "N[C@H](Cc1cc(Br)c(c(c1)Br)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3,3-dihydroxy-alanine": { | |
"Code": "DDDZ", | |
"Formula": "C3H7NO4", | |
"Letter": "ṑ", | |
"MolWeight": 121.037507704, | |
"SMILES": "N[C@H](C(=O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](C*(=O))C(=O)O", | |
}, | |
"d-Diethylalanine": { | |
"Code": "D2EL", | |
"Formula": "C7H15NO2", | |
"Letter": "ṓ", | |
"MolWeight": 145.11027872, | |
"SMILES": "N[C@H](C(CC)CC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3,3-diphenylalanine": { | |
"Code": "D2F1", | |
"Formula": "C15H15NO2", | |
"Letter": "ṕ", | |
"MolWeight": 241.11027872, | |
"SMILES": "N[C@H]([C@H](c1ccccc1)c1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3,3-dimethyl-aspartic-acid": { | |
"Code": "DDMK", | |
"Formula": "C6H11NO4", | |
"Letter": "ṗ", | |
"MolWeight": 161.068807832, | |
"SMILES": "N[C@H](C(C(=O)O)(C)C)C(=O)O", | |
"cterm": "N[C@H](C(C*(=O))(C)C)C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-ethyl-phenylalanine": { | |
"Code": "DDF4", | |
"Formula": "C11H15NO2", | |
"Letter": "ṙ", | |
"MolWeight": 193.11027872, | |
"SMILES": "N[C@H](Cc1cc(CC)ccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2,3-Diaminopropanoic-acid": { | |
"Code": "DDPP", | |
"Formula": "C3H8N2O2", | |
"Letter": "ṛ", | |
"MolWeight": 104.058577496, | |
"SMILES": "N[C@H](CN)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CN*)C(=O)O", | |
}, | |
"d-Ethionine": { | |
"Code": "DESC", | |
"Formula": "C6H13NO2S", | |
"Letter": "ṝ", | |
"MolWeight": 163.066699656, | |
"SMILES": "N[C@H](CCSCC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3,4-Difluoro-phenylalanine": { | |
"Code": "DF2F", | |
"Formula": "C9H9F2NO2", | |
"Letter": "ṟ", | |
"MolWeight": 201.060134968, | |
"SMILES": "N[C@H](Cc1ccc(c(c1)F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-chloro-Phenylalanine": { | |
"Code": "DFCL", | |
"Formula": "C9H10ClNO2", | |
"Letter": "ṡ", | |
"MolWeight": 199.04000624, | |
"SMILES": "N[C@H](Cc1cccc(c1)Cl)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-Fluoro-glutamic-acid": { | |
"Code": "D4FG", | |
"Formula": "C5H8FNO4", | |
"Letter": "ṣ", | |
"MolWeight": 165.043735956, | |
"SMILES": "N[C@H](C[C@H](F)C(=O)O)C(=O)O", | |
"cterm": "N[C@H](C[C@H](F)C*(=O))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Trifluoro-alanine": { | |
"Code": "DFLA", | |
"Formula": "C3H4F3NO2", | |
"Letter": "ṧ", | |
"MolWeight": 143.019413028, | |
"SMILES": "N[C@H](C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-Fluoro-phenylglycine": { | |
"Code": "DFP6", | |
"Formula": "C8H8FNO2", | |
"Letter": "ṩ", | |
"MolWeight": 169.053906716, | |
"SMILES": "N[C@H](c1ccccc1F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-Fluoro-phenylglycine": { | |
"Code": "DFP7", | |
"Formula": "C8H8FNO2", | |
"Letter": "ṫ", | |
"MolWeight": 169.053906716, | |
"SMILES": "N[C@H](c1cccc(c1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-Fluoro-phenylglycine": { | |
"Code": "DFP8", | |
"Formula": "C8H8FNO2", | |
"Letter": "ṭ", | |
"MolWeight": 169.053906716, | |
"SMILES": "N[C@H](c1ccc(cc1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-Fluoro-Phenylalanine": { | |
"Code": "DFF2", | |
"Formula": "C9H10FNO2", | |
"Letter": "t̃", | |
"MolWeight": 183.06955678, | |
"SMILES": "N[C@H](Cc1ccccc1F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-Fluoro-Phenylalanine": { | |
"Code": "DFF3", | |
"Formula": "C9H10FNO2", | |
"Letter": "ṱ", | |
"MolWeight": 183.06955678, | |
"SMILES": "N[C@H](Cc1cccc(c1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-6-fluoro-l-tryptophan": { | |
"Code": "DFT6", | |
"Formula": "C11H11FN2O2", | |
"Letter": "ụ", | |
"MolWeight": 222.080455812, | |
"SMILES": "N[C@H](Cc1cNc2c1ccc(c2)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-5-Fluoro-tryptophan": { | |
"Code": "DFTR", | |
"Formula": "C11H11FN2O2", | |
"Letter": "ủ", | |
"MolWeight": 222.080455812, | |
"SMILES": "N[C@H](Cc1c[nH]c2c1cc(F)cc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-(2-furyl)-alanine": { | |
"Code": "DFUO", | |
"Formula": "C7H9NO3", | |
"Letter": "ứ", | |
"MolWeight": 155.058243148, | |
"SMILES": "N[C@H](Cc1ccco1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-Fluoro-valine": { | |
"Code": "DFVL", | |
"Formula": "C5H10FNO2", | |
"Letter": "ừ", | |
"MolWeight": 135.06955678, | |
"SMILES": "N[C@H](C(F)(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-Amino-4-guanidinobutryric-acid": { | |
"Code": "DGBT", | |
"Formula": "C5H14N4O2", | |
"Letter": "ử", | |
"MolWeight": 162.111675688, | |
"SMILES": "N[C@H](CCNC(N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CCNC(N)N*)C(=O)O", | |
}, | |
"d-2-Amino-3-guanidinopropionic-acid": { | |
"Code": "DGPA", | |
"Formula": "C4H12N4O2", | |
"Letter": "ữ", | |
"MolWeight": 148.096025624, | |
"SMILES": "N[C@H](CNC(N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CNC(N)N*)C(=O)O", | |
}, | |
"d-Canavanine": { | |
"Code": "DGGB", | |
"Formula": "C5H12N4O3", | |
"Letter": "ự", | |
"MolWeight": 176.090940244, | |
"SMILES": "N[C@H](CCON=C(N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CCON=C(N)N*)C(=O)O", | |
}, | |
"d-(2s,4s)-2,5-diamino-4-hydroxy-5-oxopentanoic-acid": { | |
"Code": "DGHG", | |
"Formula": "C5H10N2O4", | |
"Letter": "ṳ", | |
"MolWeight": 162.0640568, | |
"SMILES": "N[C@H](C[C@H](O)C(=O)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](C[C@H](O)C(=O)N*)C(=O)O", | |
}, | |
"d-5-o-methyl-glutamic-acid": { | |
"Code": "DGME", | |
"Formula": "C6H11NO4", | |
"Letter": "ṵ", | |
"MolWeight": 161.068807832, | |
"SMILES": "N[C@H](CCC(=O)OC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-homocysteine": { | |
"Code": "DHCS", | |
"Formula": "C4H9NO2S", | |
"Letter": "ṷ", | |
"MolWeight": 135.035399528, | |
"SMILES": "N[C@H](CCS)C(=O)O", | |
"cterm": False, | |
"disulphide": "N[C@H](CCS*)C(=O)O", | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-glutamine-hydroxamate": { | |
"Code": "DHGA", | |
"Formula": "C5H10N2O4", | |
"Letter": "ṹ", | |
"MolWeight": 162.0640568, | |
"SMILES": "N[C@H](CCC(=O)NO)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-(2s)-2,8-diaminooctanoic-acid": { | |
"Code": "DHHK", | |
"Formula": "C8H18N2O2", | |
"Letter": "ṻ", | |
"MolWeight": 174.136827816, | |
"SMILES": "N[C@H](CCCCCCN)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CCCCCCN*)C(=O)O", | |
}, | |
"d-4-Hydroxy-L-isoleucine": { | |
"Code": "DHIL", | |
"Formula": "C6H13NO3", | |
"Letter": "ṽ", | |
"MolWeight": 147.089543276, | |
"SMILES": "N[C@H]([C@H]([C@@H](C)O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-(2s,3r)-2-amino-3-hydroxy-4-methylpentanoic-acid": { | |
"Code": "DHL2", | |
"Formula": "C6H13NO3", | |
"Letter": "ṿ", | |
"MolWeight": 147.089543276, | |
"SMILES": "N[C@H]([C@H](O)C(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Homoleucine": { | |
"Code": "DHL1", | |
"Formula": "C7H15NO2", | |
"Letter": "ẁ", | |
"MolWeight": 145.11027872, | |
"SMILES": "N[C@H](CCC(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-beta-hydroxyleucine": { | |
"Code": "DHLU", | |
"Formula": "C6H13NO3", | |
"Letter": "ẃ", | |
"MolWeight": 147.089543276, | |
"SMILES": "N[C@H]([C@@H](O)C(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-amino-L-phenylalanine": { | |
"Code": "DHOX", | |
"Formula": "C9H12N2O2", | |
"Letter": "ẅ", | |
"MolWeight": 180.089877624, | |
"SMILES": "N[C@H](Cc1ccc(cc1)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](Cc1ccc(cc1)N*)C(=O)O", | |
}, | |
"d-Homophenylalanine": { | |
"Code": "DHPE", | |
"Formula": "C10H13NO2", | |
"Letter": "ẇ", | |
"MolWeight": 179.094628656, | |
"SMILES": "N[C@H](CCc1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(8-hydroxyquinolin-3-yl)-l-alanine": { | |
"Code": "DHQA", | |
"Formula": "C12H12N2O3", | |
"Letter": "ẉ", | |
"MolWeight": 232.084792244, | |
"SMILES": "N[C@H](Cc1cnc2c(c1)cccc2O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-homoarginine": { | |
"Code": "DHRG", | |
"Formula": "C7H18N4O2", | |
"Letter": "ẋ", | |
"MolWeight": 190.142975816, | |
"SMILES": "N[C@H](CCCCNC(N)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CCCCNC(N)N*)C(=O)O", | |
}, | |
"d-5-Hydroxy-tryptophan": { | |
"Code": "DHRP", | |
"Formula": "C11H12N2O3", | |
"Letter": "ẍ", | |
"MolWeight": 220.084792244, | |
"SMILES": "N[C@H](Cc1cNc2c1cc(O)cc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-homoserine": { | |
"Code": "DHSE", | |
"Formula": "C4H9NO3", | |
"Letter": "ỳ", | |
"MolWeight": 119.058243148, | |
"SMILES": "N[C@H](CCO)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@H](CCO*)C(=O)O", | |
"nterm": False, | |
}, | |
"d-beta-hydroxy-tryptophane": { | |
"Code": "DHTR", | |
"Formula": "C11H12N2O3", | |
"Letter": "ỵ", | |
"MolWeight": 220.084792244, | |
"SMILES": "N[C@H]([C@H](c1c[nH]c2c1cccc2)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-hydroxy-l-valine": { | |
"Code": "DHVA", | |
"Formula": "C5H11NO3", | |
"Letter": "ỷ", | |
"MolWeight": 133.073893212, | |
"SMILES": "N[C@H](C(O)(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-methyl-l-alloisoleucine": { | |
"Code": "DI2M", | |
"Formula": "C7H15NO2", | |
"Letter": "ỹ", | |
"MolWeight": 145.11027872, | |
"SMILES": "N[C@H](C(CC)(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-alpha-amino-2-indanacetic-acid": { | |
"Code": "DIGL", | |
"Formula": "C11H13NO2", | |
"Letter": "ẏ", | |
"MolWeight": 191.094628656, | |
"SMILES": "N[C@H](C1Cc2c(C1)cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Allo-Isoleucine": { | |
"Code": "DIIL", | |
"Formula": "C6H13NO2", | |
"Letter": "ẑ", | |
"MolWeight": 131.094628656, | |
"SMILES": "N[C@H]([C@@H](CC)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4,5-dihydroxy-isoleucine": { | |
"Code": "DILX", | |
"Formula": "C6H13NO4", | |
"Letter": "ẓ", | |
"MolWeight": 163.084457896, | |
"SMILES": "N[C@H]([C@H]([C@H](CO)O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@H]([C@H]([C@H](CO*)O)C)C(=O)O", | |
"nterm": False, | |
}, | |
"d-3-iodo-tyrosine": { | |
"Code": "DIYR", | |
"Formula": "C9H10INO3", | |
"Letter": "ẕ", | |
"MolWeight": 306.97054117999994, | |
"SMILES": "N[C@H](Cc1ccc(c(c1)I)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-kynurenine": { | |
"Code": "DKYN", | |
"Formula": "C10H12N2O3", | |
"Letter": "ỻ", | |
"MolWeight": 208.084792244, | |
"SMILES": "N[C@H](CC(=O)c1ccccc1N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CC(=O)c1ccccc1N*)C(=O)O", | |
}, | |
"d-6-hydroxy-l-norleucine": { | |
"Code": "DLDO", | |
"Formula": "C6H13NO3", | |
"Letter": "ỽ", | |
"MolWeight": 147.089543276, | |
"SMILES": "N[C@H](CCCCO)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@H](CCCCO*)C(=O)O", | |
"nterm": False, | |
}, | |
"d-Penicillamine": { | |
"Code": "DLE1", | |
"Formula": "C5H11NO2S", | |
"Letter": "ỿ", | |
"MolWeight": 149.051049592, | |
"SMILES": "N[C@H](C(S)(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": "N[C@H](C(S*)(C)C)C(=O)O", | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-(4r)-5-oxo-l-leucine": { | |
"Code": "DLED", | |
"Formula": "C6H11NO3", | |
"Letter": "ÿ", | |
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"SMILES": "N[C@H](C[C@@H](C)C=O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-(4s)-5-fluoro-l-leucine": { | |
"Code": "DLEF", | |
"Formula": "C6H12FNO2", | |
"Letter": "ý", | |
"MolWeight": 149.085206844, | |
"SMILES": "N[C@H](C[C@H](C)CF)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-(3r)-3-methyl-l-glutamic-acid": { | |
"Code": "DLME", | |
"Formula": "C6H11NO4", | |
"Letter": "ā", | |
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"SMILES": "N[C@H]([C@H](C)CC(O)=O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-methyl-l-glutamine": { | |
"Code": "DLMQ", | |
"Formula": "C6H12N2O3", | |
"Letter": "ă", | |
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"SMILES": "N[C@H]([C@@H](C)CC(N)=O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-vinylglycine": { | |
"Code": "DLVG", | |
"Formula": "C4H7NO2", | |
"Letter": "ą", | |
"MolWeight": 101.047678464, | |
"SMILES": "N[C@H](C=C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-oxo-l-valine": { | |
"Code": "DLVN", | |
"Formula": "C5H9NO3", | |
"Letter": "ć", | |
"MolWeight": 131.058243148, | |
"SMILES": "N[C@H]([C@H](C)C=O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3,3-dimethyl-methionine-sulfoxide": { | |
"Code": "DM2S", | |
"Formula": "C7H15NO3S", | |
"Letter": "ƈ", | |
"MolWeight": 193.07726434, | |
"SMILES": "N[C@H](C(C)(C)C[S@@](C)=O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-hydroxy-l-methionine": { | |
"Code": "DME0", | |
"Formula": "C5H11NO3S", | |
"Letter": "ċ̦", | |
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"SMILES": "N[C@H](CCSCO)C(=O)O", | |
"cterm": False, | |
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"ester": "N[C@H](CCSCO*)C(=O)O", | |
"nterm": False, | |
}, | |
"d-(3s)-3-methyl-l-glutamic-acid": { | |
"Code": "DMEG", | |
"Formula": "C6H11NO4", | |
"Letter": "č", | |
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"SMILES": "N[C@H]([C@@H](C)CC(=O)O)C(=O)O", | |
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"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-n-methyl-asparagine": { | |
"Code": "DMEN", | |
"Formula": "C5H10N2O3", | |
"Letter": "ď", | |
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"SMILES": "N[C@H](CC(=O)NC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-n5-methyl-glutamine": { | |
"Code": "DMEQ", | |
"Formula": "C6H12N2O3", | |
"Letter": "đ", | |
"MolWeight": 160.084792244, | |
"SMILES": "N[C@H](CCC(=O)NC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-s-oxymethionine": { | |
"Code": "DMHO", | |
"Formula": "C5H11NO3S", | |
"Letter": "ē", | |
"MolWeight": 165.045964212, | |
"SMILES": "N[C@H](CC[S@](=O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-5-Methoxy-tryptophan": { | |
"Code": "D5XW", | |
"Formula": "C12H14N2O3", | |
"Letter": "ĕ", | |
"MolWeight": 234.100442308, | |
"SMILES": "N[C@H](Cc1cNc2ccc(OC)cc12)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3,4-Dimethyl-phenylalanine": { | |
"Code": "DM34", | |
"Formula": "C11H15NO2", | |
"Letter": "ɛ", | |
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"SMILES": "N[C@H](Cc1ccc(c(c1)C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-Methyl-phenylalanine": { | |
"Code": "D2MF", | |
"Formula": "C10H13NO2", | |
"Letter": "ę", | |
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"SMILES": "N[C@H](Cc1ccccc1C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-5-Methyl-tryptophan": { | |
"Code": "D5MW", | |
"Formula": "C12H14N2O2", | |
"Letter": "ě", | |
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"SMILES": "N[C@H](Cc1cNc2ccc(C)cc12)C(=O)O", | |
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"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-6-Methyl-tryptophan": { | |
"Code": "D6MW", | |
"Formula": "C12H14N2O2", | |
"Letter": "ɠ", | |
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"SMILES": "N[C@H](Cc1cNc2c1ccc(c2)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-m-Tyrosine": { | |
"Code": "DMTY", | |
"Formula": "C9H11NO3", | |
"Letter": "ğ", | |
"MolWeight": 181.073893212, | |
"SMILES": "N[C@H](Cc1cccc(c1)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-Naphthyl-alanine": { | |
"Code": "DNAL", | |
"Formula": "C13H13NO2", | |
"Letter": "ġ", | |
"MolWeight": 215.094628656, | |
"SMILES": "N[C@H](Cc1ccc2c(c1)cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-5-hydroxy-1-naphthalene": { | |
"Code": "D51N", | |
"Formula": "C13H13NO3", | |
"Letter": "ģ", | |
"MolWeight": 231.089543276, | |
"SMILES": "N[C@H](Cc1cccc2c1cc(O)cc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-6-hydroxy-2-naphthalene": { | |
"Code": "D62N", | |
"Formula": "C13H13NO3", | |
"Letter": "ȟ", | |
"MolWeight": 231.089543276, | |
"SMILES": "N[C@H](Cc1ccc2c(c1)cc(cc2)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-meta-nitro-tyrosine": { | |
"Code": "DNIY", | |
"Formula": "C9H10N2O5", | |
"Letter": "ħ", | |
"MolWeight": 226.05897142, | |
"SMILES": "N[C@H](Cc1ccc(c(c1)N(=O)=O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Norleucine": { | |
"Code": "DNLE", | |
"Formula": "C6H13NO2", | |
"Letter": "ĩ", | |
"MolWeight": 131.094628656, | |
"SMILES": "N[C@H](CCCC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Norvaline": { | |
"Code": "DNVA", | |
"Formula": "C5H11NO2", | |
"Letter": "ī", | |
"MolWeight": 117.078978592, | |
"SMILES": "N[C@H](CCC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-o-acetylserine": { | |
"Code": "DOAS", | |
"Formula": "C5H9NO4", | |
"Letter": "ĭ", | |
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"SMILES": "N[C@H](COC(=O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-(2s)-2-amino-4,4-difluorobutanoic-acid": { | |
"Code": "DOBF", | |
"Formula": "C4H7F2NO2", | |
"Letter": "į", | |
"MolWeight": 139.044484904, | |
"SMILES": "N[C@H](CC(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-s-(2-hydroxyethyl)-l-cysteine": { | |
"Code": "DOCY", | |
"Formula": "C5H11NO3S", | |
"Letter": "þ", | |
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"SMILES": "N[C@H](CSCCO)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@H](CSCCO*)C(=O)O", | |
"nterm": False, | |
}, | |
"d-o-methyl-l-threonine": { | |
"Code": "DOLT", | |
"Formula": "C5H11NO3", | |
"Letter": "ij", | |
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"SMILES": "N[C@H]([C@H](OC)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Methionine-sulfone": { | |
"Code": "DOMT", | |
"Formula": "C5H11NO4S", | |
"Letter": "ĵ", | |
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"SMILES": "N[C@H](CCS(=O)(=O)C)C(=O)O", | |
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"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-(betar)-beta-hydroxy-l-tyrosine": { | |
"Code": "DOMX", | |
"Formula": "C9H11NO4", | |
"Letter": "ķ", | |
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"ester": False, | |
"nterm": False, | |
}, | |
"d-(betar)-3-chloro-beta-hydroxy-l-tyrosine": { | |
"Code": "DOMY", | |
"Formula": "C9H10ClNO4", | |
"Letter": "ĺ", | |
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"SMILES": "N[C@H]([C@@H](c1ccc(c(c1)Cl)O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-5-oxo-l-norleucine": { | |
"Code": "DONL", | |
"Formula": "C6H11NO3", | |
"Letter": "ļ", | |
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"SMILES": "N[C@H](CCC(=O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Ornithine": { | |
"Code": "DORN", | |
"Formula": "C5H12N2O2", | |
"Letter": "ľ", | |
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"SMILES": "N[C@H](CCCN)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CCCN*)C(=O)O", | |
}, | |
"d-o-Tyrosine": { | |
"Code": "D2TR", | |
"Formula": "C9H11NO3", | |
"Letter": "ơ", | |
"MolWeight": 181.073893212, | |
"SMILES": "N[C@H](Cc1ccccc1O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-benzoyl-phenylalanine": { | |
"Code": "DPBF", | |
"Formula": "C16H15NO3", | |
"Letter": "ƚ", | |
"MolWeight": 269.10519334, | |
"SMILES": "N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-pentafluoro-phenylalanine": { | |
"Code": "DPF5", | |
"Formula": "C9H6F5NO2", | |
"Letter": "ń", | |
"MolWeight": 255.031869532, | |
"SMILES": "N[C@H](Cc1c(F)c(F)c(c(c1F)F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-Fluoro-Phenylalanine": { | |
"Code": "DPFF", | |
"Formula": "C9H10FNO2", | |
"Letter": "ņ", | |
"MolWeight": 183.06955678, | |
"SMILES": "N[C@H](Cc1ccc(cc1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-Iodo-Phenylalanine": { | |
"Code": "DPHI", | |
"Formula": "C9H10INO2", | |
"Letter": "ň", | |
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"SMILES": "N[C@H](Cc1ccc(cc1)I)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-Nitro-phenylalanine": { | |
"Code": "DPPN", | |
"Formula": "C9H10N2O4", | |
"Letter": "ŋ", | |
"MolWeight": 210.0640568, | |
"SMILES": "N[C@H](Cc1ccc(cc1)N(=O)=O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-phosphotyrosine": { | |
"Code": "DPTR", | |
"Formula": "C9H12NO6P", | |
"Letter": "ō", | |
"MolWeight": 261.04022373400005, | |
"SMILES": "N[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(2-Pyridyl)-alanine": { | |
"Code": "DY23", | |
"Formula": "C8H10N2O2", | |
"Letter": "ŏ", | |
"MolWeight": 166.07422756, | |
"SMILES": "N[C@H](Cc1ccccn1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(3-Pyridyl)-alanine": { | |
"Code": "DY33", | |
"Formula": "C8H10N2O2", | |
"Letter": "ő", | |
"MolWeight": 166.07422756, | |
"SMILES": "N[C@H](Cc1cccnc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(4-Pyridyl)-alanine": { | |
"Code": "DY34", | |
"Formula": "C8H10N2O2", | |
"Letter": "œ", | |
"MolWeight": 166.07422756, | |
"SMILES": "N[C@H](Cc1ccncc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(1-Pyrazolyl)-alanine": { | |
"Code": "DPZ4", | |
"Formula": "C6H9N3O2", | |
"Letter": "ŕ", | |
"MolWeight": 155.069476528, | |
"SMILES": "N[C@H](Cn1cccn1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(2-Quinolyl)-alanine": { | |
"Code": "DQ32", | |
"Formula": "C12H12N2O2", | |
"Letter": "ŗ", | |
"MolWeight": 216.089877624, | |
"SMILES": "N[C@H](Cc1ccc2c(n1)cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(3-quinolyl)-alanine": { | |
"Code": "DQ33", | |
"Formula": "C12H12N2O2", | |
"Letter": "ř", | |
"MolWeight": 216.089877624, | |
"SMILES": "N[C@H](Cc1cnc2c(c1)cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(4-quinolyl)-alanine": { | |
"Code": "DQ34", | |
"Formula": "C12H12N2O2", | |
"Letter": "ś", | |
"MolWeight": 216.089877624, | |
"SMILES": "N[C@H](Cc1ccnc2c1cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(5-Quinolyl)-alanine": { | |
"Code": "DQ35", | |
"Formula": "C12H12N2O2", | |
"Letter": "ŝ", | |
"MolWeight": 216.089877624, | |
"SMILES": "N[C@H](Cc1ccc2c(c1)nccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(6-Quinolyl)-alanine": { | |
"Code": "DQ36", | |
"Formula": "C12H12N2O2", | |
"Letter": "ş", | |
"MolWeight": 216.089877624, | |
"SMILES": "N[C@H](Cc1ccc2c(c1)cncc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(2-quinoxalyl)-alanine": { | |
"Code": "DQX3", | |
"Formula": "C11H11N3O2", | |
"Letter": "š", | |
"MolWeight": 217.085126592, | |
"SMILES": "N[C@H](Cc1cnc2c(n1)cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-phosphoserine": { | |
"Code": "DSEP", | |
"Formula": "C3H8NO6P", | |
"Letter": "ţ", | |
"MolWeight": 185.008923606, | |
"SMILES": "N[C@H](COP(=O)(O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-thialysine": { | |
"Code": "DSLZ", | |
"Formula": "C5H12N2O2S", | |
"Letter": "ť", | |
"MolWeight": 164.061948624, | |
"SMILES": "N[C@H](CSCCN)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CSCCN*)C(=O)O", | |
}, | |
"d-Methionine-sulfoxide": { | |
"Code": "DSME", | |
"Formula": "C5H11NO3S", | |
"Letter": "ŧ", | |
"MolWeight": 165.045964212, | |
"SMILES": "N[C@H](CC[S@](=O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Styrylalanine": { | |
"Code": "DSYA", | |
"Formula": "C11H13NO2", | |
"Letter": "ũ", | |
"MolWeight": 191.094628656, | |
"SMILES": "N[C@H](CC=Cc1ccccc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2s,4r-4-methylglutamate": { | |
"Code": "DSYM", | |
"Formula": "C6H11NO4", | |
"Letter": "ū", | |
"MolWeight": 161.068807832, | |
"SMILES": "N[C@H](C[C@H](C(=O)O)C)C(=O)O", | |
"cterm": "N[C@H](C[C@H](C*(=O))C)C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-tert-butyl-phenylalanine": { | |
"Code": "D4TF", | |
"Formula": "C13H19NO2", | |
"Letter": "ŭ", | |
"MolWeight": 221.141578848, | |
"SMILES": "N[C@H](Cc1ccc(cc1)C(C)(C)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(2-Tetrazolyl)-alanine": { | |
"Code": "DTEZ", | |
"Formula": "C4H7N5O2", | |
"Letter": "ů", | |
"MolWeight": 157.059974464, | |
"SMILES": "N[C@H](Cn1nncn1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-(Trifluoromethyl)-phenylglycine": { | |
"Code": "D2TG", | |
"Formula": "C9H8F3NO2", | |
"Letter": "ű", | |
"MolWeight": 219.050713156, | |
"SMILES": "N[C@H](c1ccccc1C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(Trifluoromethyl)-phenylglycine": { | |
"Code": "D3TG", | |
"Formula": "C9H8F3NO2", | |
"Letter": "ų", | |
"MolWeight": 219.050713156, | |
"SMILES": "N[C@H](c1cccc(c1)C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-(Trifluoromethyl)-phenylglycine": { | |
"Code": "D4TG", | |
"Formula": "C9H8F3NO2", | |
"Letter": "ŵ", | |
"MolWeight": 219.050713156, | |
"SMILES": "N[C@H](c1ccc(cc1)C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-5,5,5-Trifluoro-leucine": { | |
"Code": "DTFL", | |
"Formula": "C6H10F3NO2", | |
"Letter": "ƭ", | |
"MolWeight": 185.06636322, | |
"SMILES": "N[C@H](C[C@@H](C(F)(F)F)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-(Trifluoromethyl)-phenylalanine": { | |
"Code": "D2TF", | |
"Formula": "C10H10F3NO2", | |
"Letter": "ź", | |
"MolWeight": 233.06636322, | |
"SMILES": "N[C@H](Cc1ccccc1C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(Trifluoromethyl)-phenylalanine": { | |
"Code": "D3TF", | |
"Formula": "C10H10F3NO2", | |
"Letter": "ż", | |
"MolWeight": 233.06636322, | |
"SMILES": "N[C@H](Cc1cccc(c1)C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-(Trifluoromethyl)-phenylalanine": { | |
"Code": "D4TM", | |
"Formula": "C10H10F3NO2", | |
"Letter": "ž", | |
"MolWeight": 233.06636322, | |
"SMILES": "N[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-4-hydroxy-l-threonine": { | |
"Code": "DTH6", | |
"Formula": "C4H9NO4", | |
"Letter": "à", | |
"MolWeight": 135.053157768, | |
"SMILES": "N[C@H]([C@H](O)CO)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": "N[C@H]([C@H](O)CO*)C(=O)O", | |
"nterm": False, | |
}, | |
"d-3-(3-thienyl)-alanine": { | |
"Code": "D3TA", | |
"Formula": "C7H9NO2S", | |
"Letter": "á", | |
"MolWeight": 171.035399528, | |
"SMILES": "N[C@H](Cc1cscc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-thienylglycine": { | |
"Code": "D2TH", | |
"Formula": "C6H7NO2S", | |
"Letter": "â", | |
"MolWeight": 157.019749464, | |
"SMILES": "N[C@H](c1cccs1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-thienylglycine": { | |
"Code": "D3TH", | |
"Formula": "C6H7NO2S", | |
"Letter": "ã", | |
"MolWeight": 157.019749464, | |
"SMILES": "N[C@H](c1cscc1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Thio-citrulline": { | |
"Code": "DTVI", | |
"Formula": "C6H13N3O2S", | |
"Letter": "ä", | |
"MolWeight": 191.072847656, | |
"SMILES": "N[C@H](CCCNC(=S)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CCCNC(=S)N*)C(=O)O", | |
}, | |
"d-3-(2-thienyl)-alanine": { | |
"Code": "DTIH", | |
"Formula": "C7H9NO2S", | |
"Letter": "å", | |
"MolWeight": 171.035399528, | |
"SMILES": "N[C@H](Cc1cccs1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-phosphothreonine": { | |
"Code": "DTPO", | |
"Formula": "C4H10NO6P", | |
"Letter": "æ", | |
"MolWeight": 199.02457367, | |
"SMILES": "N[C@H]([C@H](OP(=O)(O)O)C)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-hydroxy-tryptophan": { | |
"Code": "DTRO", | |
"Formula": "C11H12N2O3", | |
"Letter": "ç", | |
"MolWeight": 220.084792244, | |
"SMILES": "N[C@H](Cc1c(O)[nH]c2c1cccc2)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-6-hydroxy-tryptophan": { | |
"Code": "DTRX", | |
"Formula": "C11H12N2O3", | |
"Letter": "è", | |
"MolWeight": 220.084792244, | |
"SMILES": "N[C@H](Cc1c[nH]c2c1ccc(c2)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-(1,2,4-Triazol-1-yl)-alanine": { | |
"Code": "DTZR", | |
"Formula": "C5H8N4O2", | |
"Letter": "é", | |
"MolWeight": 156.064725496, | |
"SMILES": "N[C@H](Cn1cncn1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-6-amino-7-hydroxy-l-tryptophan": { | |
"Code": "DTTQ", | |
"Formula": "C11H13N3O3", | |
"Letter": "ê", | |
"MolWeight": 235.095691276, | |
"SMILES": "N[C@H](Cc1c[nH]c2c1ccc(c2O)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](Cc1c[nH]c2c1ccc(c2O)N*)C(=O)O", | |
}, | |
"d-3-Amino-L-tyrosine": { | |
"Code": "DTY2", | |
"Formula": "C9H12N2O3", | |
"Letter": "ë", | |
"MolWeight": 196.084792244, | |
"SMILES": "N[C@H](Cc1ccc(c(c1)N)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3,5-diiodotyrosine": { | |
"Code": "DTYI", | |
"Formula": "C9H9I2NO3", | |
"Letter": "ì", | |
"MolWeight": 432.8671891479999, | |
"SMILES": "N[C@H](Cc1cc(I)c(c(c1)I)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3-amino-6-hydroxy-tyrosine": { | |
"Code": "DTYQ", | |
"Formula": "C9H12N2O4", | |
"Letter": "í", | |
"MolWeight": 212.079706864, | |
"SMILES": "N[C@H](Cc1cc(N)c(cc1O)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-(4-thiazolyl)-alanine": { | |
"Code": "D4TH", | |
"Formula": "C6H8N2O2S", | |
"Letter": "î", | |
"MolWeight": 172.030648496, | |
"SMILES": "N[C@H](Cc1cscn1)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-2-Aminoadipic-acid": { | |
"Code": "DUN1", | |
"Formula": "C6H11NO4", | |
"Letter": "ï", | |
"MolWeight": 161.068807832, | |
"SMILES": "N[C@H](CCCC(=O)O)C(=O)O", | |
"cterm": "N[C@H](CCCC*(=O))C(=O)O", | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-Hydroxynorvaline": { | |
"Code": "DVAH", | |
"Formula": "C5H11NO3", | |
"Letter": "ð", | |
"MolWeight": 133.073893212, | |
"SMILES": "N[C@H]([C@H](O)CC)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-3,5-Difluoro-phenylalanine": { | |
"Code": "DWFP", | |
"Formula": "C9H9F2NO2", | |
"Letter": "ñ", | |
"MolWeight": 201.060134968, | |
"SMILES": "N[C@H](Cc1cc(F)cc(c1)F)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
}, | |
"d-cysteine-s-acetamide": { | |
"Code": "DYCM", | |
"Formula": "C5H10N2O3S", | |
"Letter": "ò", | |
"MolWeight": 178.04121318, | |
"SMILES": "N[C@H](CSCC(=O)N)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": "N[C@H](CSCC(=O)N*)C(=O)O", | |
}, | |
"d-3-fluorotyrosine": { | |
"Code": "DYOF", | |
"Formula": "C9H10FNO3", | |
"Letter": "ó", | |
"MolWeight": 199.0644714, | |
"SMILES": "N[C@H](Cc1ccc(c(c1)F)O)C(=O)O", | |
"cterm": False, | |
"disulphide": False, | |
"ester": False, | |
"nterm": False, | |
},} |