| 562 | Name: | N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine | Formula: | C12 H26 N7 O4 | SMILES: | NC(CCCNC(=N)NCCOCCOCCN=[N+]=N)C(=O)O | InChi: | InChI=1S/C12H25N7O4/c13-10(11(20)21)2-1-3-16-12(14)17-4-6-22-8-9-23-7-5-18-19-15/h10,15H,1-9,13H2,(H3-,14,16,17,20,21)/p+1/t10-/m0/s1 | Definition date: | 2015-07-31 | Last modified: | 2023-11-03 | Release date: | 2018-03-14 | Identifier: | N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine |
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| 56A | Name: | 3-(8-phenyloctyl)-L-histidine | Formula: | C20 H29 N3 O2 | SMILES: | O=C(O)C(N)Cc1cncn1CCCCCCCCc2ccccc2 | InChi: | InChI=1S/C20H29N3O2/c21-19(20(24)25)14-18-15-22-16-23(18)13-9-4-2-1-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-12,15-16,19H,1-4,6,9-10,13-14,21H2,(H,24,25)/t19-/m0/s1 | Definition date: | 2011-04-29 | Last modified: | 2023-11-03 | Identifier: | 3-(8-phenyloctyl)-L-histidine |
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| 56C | Name: | N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine | Formula: | C14 H30 N7 O5 | SMILES: | NC(C(=O)O)CCCNC(=N)NCCOCCOCCOCC/N=[N+]=N | InChi: | InChI=1S/C14H29N7O5/c15-12(13(22)23)2-1-3-18-14(16)19-4-6-24-8-10-26-11-9-25-7-5-20-21-17/h12,17H,1-11,15H2,(H3-,16,18,19,22,23)/p+1/t12-/m0/s1 | Definition date: | 2015-08-03 | Last modified: | 2023-11-03 | Release date: | 2018-03-14 | Identifier: | N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine |
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| EYG | Name: | {(2R,4Z)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazolidin-1-yl}acetic acid | Formula: | C16 H21 N3 O5 S | SMILES: | O=C(O)CN1C(=O)/C(NC1(O)C(N)CCSC)=C/c2ccc(O)cc2 | InChi: | InChI=1S/C16H21N3O5S/c1-25-7-6-13(17)16(24)18-12(15(23)19(16)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,13,18,20,24H,6-7,9,17H2,1H3,(H,21,22)/b12-8-/t13-,16-/m1/s1 | Synonyms: | CHROMOPHORE (MET-TYR-GLY) | Definition date: | 2010-08-24 | Last modified: | 2023-11-03 | Identifier: | [(2R,4Z)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid |
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| EYZ | Name: | (2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid | Formula: | C16 H22 N2 O5 S | SMILES: | N[CH](CCCCNC(=O)C[CH](Sc1ccccc1)C(O)=O)C(O)=O | InChi: | InChI=1S/C16H22N2O5S/c17-12(15(20)21)8-4-5-9-18-14(19)10-13(16(22)23)24-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,17H2,(H,18,19)(H,20,21)(H,22,23)/t12-,13+/m0/s1 | Definition date: | 2018-05-08 | Last modified: | 2023-11-03 | Release date: | 2018-05-16 | Identifier: | (2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid |
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| EZY | Name: | N-[(2-nitrophenyl)methyl]glycine | Formula: | C9 H10 N2 O4 | SMILES: | N(CC(=O)O)Cc1c(N(=O)=O)cccc1 | InChi: | InChI=1S/C9H10N2O4/c12-9(13)6-10-5-7-3-1-2-4-8(7)11(14)15/h1-4,10H,5-6H2,(H,12,13) | Synonyms: | 2-nitrobenzylglycine | Definition date: | 2018-02-20 | Last modified: | 2023-11-03 | Release date: | 2018-05-16 | Identifier: | N-[(2-nitrophenyl)methyl]glycine |
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| F2F | Name: | 3,4-difluoro-L-phenylalanine | Formula: | C9 H9 F2 N O2 | SMILES: | Fc1ccc(cc1F)CC(C(=O)O)N | InChi: | InChI=1S/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1 | Definition date: | 2008-05-20 | Last modified: | 2023-11-03 | Identifier: | 3,4-difluoro-L-phenylalanine |
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| F2Y | Name: | 3,5-difluoro-L-tyrosine | Formula: | C9 H9 F2 N O3 | SMILES: | Fc1cc(cc(F)c1O)CC(C(=O)O)N | InChi: | InChI=1S/C9H9F2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 | Definition date: | 2012-10-25 | Last modified: | 2023-11-03 | Release date: | 2013-03-13 | Identifier: | 3,5-difluoro-L-tyrosine |
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| F7P | Name: | 1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan | Formula: | C16 H22 N2 O3 | SMILES: | C(C(N)C(O)=O)c2c1ccccc1n(c2)C(C(C)O)(C)C | InChi: | InChI=1S/C16H22N2O3/c1-10(19)16(2,3)18-9-11(8-13(17)15(20)21)12-6-4-5-7-14(12)18/h4-7,9-10,13,19H,8,17H2,1-3H3,(H,20,21)/t10-,13+/m1/s1 | Definition date: | 2018-03-09 | Last modified: | 2023-11-03 | Release date: | 2019-06-05 | Identifier: | 1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan |
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| F7W | Name: | 7-Fluorotryptophan | Formula: | C11 H11 F N2 O2 | SMILES: | N[CH](Cc1c[nH]c2c(F)cccc12)C(O)=O | InChi: | InChI=1S/C11H11FN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1 | Definition date: | 2017-06-09 | Last modified: | 2023-11-03 | Release date: | 2018-06-06 | Identifier: | (2~{S})-2-azanyl-3-(7-fluoranyl-1~{H}-indol-3-yl)propanoic acid |
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| F93 | Name: | (2R,3S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid | Formula: | C9 H10 Cl N O4 | SMILES: | N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O | InChi: | InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m1/s1 | Definition date: | 2020-04-16 | Last modified: | 2023-11-03 | Release date: | 2020-11-18 | Identifier: | (2~{R},3~{S})-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid |
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| GYC | Name: | [(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | Formula: | C14 H15 N3 O4 S | SMILES: | O=C1C(N=C(N1CC(=O)O)C(N)CS)=Cc2ccc(O)cc2 | InChi: | InChI=1S/C14H15N3O4S/c15-10(7-22)13-16-11(14(21)17(13)6-12(19)20)5-8-1-3-9(18)4-2-8/h1-5,10,18,22H,6-7,15H2,(H,19,20)/b11-5-/t10-/m0/s1 | Synonyms: | CHROMOPHORE (CYS-TYR-GLY) | Definition date: | 2006-05-30 | Last modified: | 2023-11-03 | Identifier: | [(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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| GYS | Name: | [(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | Formula: | C14 H15 N3 O5 | SMILES: | O=C1C(N=C(N1CC(=O)O)C(N)CO)=Cc2ccc(O)cc2 | InChi: | InChI=1S/C14H15N3O5/c15-10(7-18)13-16-11(14(22)17(13)6-12(20)21)5-8-1-3-9(19)4-2-8/h1-5,10,18-19H,6-7,15H2,(H,20,21)/b11-5-/t10-/m0/s1 | Synonyms: | CHROMOPHORE (SER-TYR-GLY) | Definition date: | 2006-05-30 | Last modified: | 2023-11-03 | Identifier: | [(4Z)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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| GZS | Name: | 4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid | Formula: | C16 H17 N O5 S | SMILES: | OC(=O)CCCN[S](=O)(=O)c1ccc(Oc2ccccc2)cc1 | InChi: | InChI=1S/C16H17NO5S/c18-16(19)7-4-12-17-23(20,21)15-10-8-14(9-11-15)22-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2,(H,18,19) | Definition date: | 2022-05-18 | Last modified: | 2023-11-03 | Release date: | 2022-06-29 | Identifier: | 4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid |
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| 5OL | Name: | N~6~-(1,1-dihydroxyethyl)-L-lysine | Formula: | C8 H18 N2 O4 | SMILES: | C(CCCCNC(C)(O)O)(C(=O)O)N | InChi: | InChI=1S/C8H18N2O4/c1-8(13,14)10-5-3-2-4-6(9)7(11)12/h6,10,13-14H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1 | Definition date: | 2015-10-29 | Last modified: | 2023-11-03 | Release date: | 2016-07-27 | Identifier: | N~6~-(1,1-dihydroxyethyl)-L-lysine |
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| 5OM | Name: | (2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid | Formula: | C10 H19 N O5 | SMILES: | OC(CCCCCC(N)C(=O)O)(O)C1OC1 | InChi: | InChI=1S/C10H19NO5/c11-7(9(12)13)4-2-1-3-5-10(14,15)8-6-16-8/h7-8,14-15H,1-6,11H2,(H,12,13)/t7-,8-/m0/s1 | Definition date: | 2015-10-29 | Last modified: | 2023-11-03 | Release date: | 2016-07-27 | Identifier: | (2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid |
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| 5OW | Name: | (2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid | Formula: | C17 H27 N4 O9 P S | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(c1O)C(NCCCC[CH](N)C(O)=O)=N[CH](CS)C(O)=O | InChi: | InChI=1S/C17H27N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,22,32H,2-5,7-8,18H2,1H3,(H,19,21)(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12-/m0/s1 | Definition date: | 2015-10-30 | Last modified: | 2023-11-03 | Release date: | 2016-11-09 | Identifier: | (2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid |
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| H3I | Name: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid | Formula: | C20 H24 N12 O6 | SMILES: | N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(=O)Nc4ncnc5nc[nH]c45)C(O)=O | InChi: | InChI=1S/C20H24N12O6/c21-8(19(35)36)1-2-31(20(37)30-16-11-15(25-4-23-11)26-6-27-16)3-9-12(33)13(34)18(38-9)32-7-29-10-14(22)24-5-28-17(10)32/h4-9,12-13,18,33-34H,1-3,21H2,(H,35,36)(H2,22,24,28)(H2,23,25,26,27,30,37)/t8-,9+,12-,13?,18+/m0/s1 | Definition date: | 2023-07-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid |
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| 5SQ | Name: | 2-[2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid | Formula: | C17 H17 N5 O4 | SMILES: | N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O | InChi: | InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5-/t13-/m0/s1 | Synonyms: | GREEN CHROMOPHORE (HIS-TYR-GLY) | Definition date: | 2015-11-24 | Last modified: | 2023-11-03 | Release date: | 2016-08-03 | Identifier: | 2-[2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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| 5T3 | Name: | N~6~-ethyl-N~6~-propan-2-yl-L-lysine | Formula: | C11 H24 N2 O2 | SMILES: | NC(CCCCN(C(C)C)CC)C(=O)O | InChi: | InChI=1S/C11H24N2O2/c1-4-13(9(2)3)8-6-5-7-10(12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15)/t10-/m0/s1 | Definition date: | 2019-12-19 | Last modified: | 2023-11-03 | Release date: | 2020-01-15 | Identifier: | N~6~-ethyl-N~6~-propan-2-yl-L-lysine |
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| HP9 | Name: | (2S)-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid | Formula: | C16 H12 F N O4 | SMILES: | N[CH](Cc1ccc2Oc3ccc(F)cc3C(=O)c2c1)C(O)=O | InChi: | InChI=1S/C16H12FNO4/c17-9-2-4-14-11(7-9)15(19)10-5-8(1-3-13(10)22-14)6-12(18)16(20)21/h1-5,7,12H,6,18H2,(H,20,21)/t12-/m0/s1 | Definition date: | 2021-01-26 | Last modified: | 2023-11-03 | Release date: | 2022-07-27 | Identifier: | (2~{S})-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid |
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| HQA | Name: | 3-(8-hydroxyquinolin-3-yl)-L-alanine | Formula: | C12 H12 N2 O3 | SMILES: | O=C(O)C(N)Cc1cc2cccc(O)c2nc1 | InChi: | InChI=1S/C12H12N2O3/c13-9(12(16)17)5-7-4-8-2-1-3-10(15)11(8)14-6-7/h1-4,6,9,15H,5,13H2,(H,16,17)/t9-/m0/s1 | Definition date: | 2008-12-10 | Last modified: | 2023-11-03 | Identifier: | 3-(8-hydroxyquinolin-3-yl)-L-alanine |
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| 5ZA | Name: | (5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]-3-(2-HYDROXYETHYL)-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE | Formula: | C17 H19 N5 O4 | SMILES: | O=C1N(C(=N/C1=Cc3c2c(cccc2nc3)N)C(N)C(O)C)CC(=O)O | InChi: | InChI=1S/C17H19N5O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-6,8,15,20,23H,7,18-19H2,1H3,(H,24,25)/b12-5-/t8-,15+/m1/s1 | Definition date: | 2003-04-22 | Last modified: | 2023-11-03 | Identifier: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-amino-1H-indol-3-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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| 60F | Name: | (2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid | Formula: | C12 H13 N O4 S | SMILES: | N[CH](CSC(=O)C=Cc1ccc(O)cc1)C(O)=O | InChi: | InChI=1S/C12H13NO4S/c13-10(12(16)17)7-18-11(15)6-3-8-1-4-9(14)5-2-8/h1-6,10,14H,7,13H2,(H,16,17)/b6-3+/t10-/m0/s1 | Definition date: | 2016-01-07 | Last modified: | 2023-11-03 | Release date: | 2016-05-18 | Identifier: | (2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid |
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| 60H | Name: | (2~{S})-2-(diphenylmethyl)pyrrolidine | Formula: | C17 H19 N | SMILES: | C1CN[CH](C1)C(c2ccccc2)c3ccccc3 | InChi: | InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m0/s1 | Definition date: | 2016-01-08 | Last modified: | 2023-11-03 | Release date: | 2016-01-27 | Identifier: | (2~{S})-2-(diphenylmethyl)pyrrolidine |
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