 | | TY2 | | Name: | 3-AMINO-L-TYROSINE | | Formula: | C9 H12 N2 O3 | | SMILES: | O=C(O)C(N)Cc1ccc(O)c(N)c1 | | InChi: | InChI=1S/C9H12N2O3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,10-11H2,(H,13,14)/t7-/m0/s1 | | Definition date: | 2007-11-17 | | Last modified: | 2023-11-03 | | Identifier: | 3-amino-L-tyrosine |
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 | | YTF | | Name: | ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate | | Formula: | C9 H18 N2 O3 | | SMILES: | CCOC(=O)CC[CH](N)CCC(N)=O | | InChi: | InChI=1S/C9H18N2O3/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h7H,2-6,10H2,1H3,(H2,11,12)/t7-/m0/s1 | | Definition date: | 2023-02-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-03-01 | | Identifier: | ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate |
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 | | TY5 | | Name: | O-benzyl-L-tyrosine | | Formula: | C16 H17 N O3 | | SMILES: | O=C(O)C(N)Cc2ccc(OCc1ccccc1)cc2 | | InChi: | InChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1 | | Definition date: | 2010-12-10 | | Last modified: | 2023-11-03 | | Identifier: | O-benzyl-L-tyrosine |
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 | | TY8 | | Name: | 2,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine | | Formula: | C9 H11 N O7 | | SMILES: | O=C(O)C(N)Cc1c(OO)cc(OO)c(O)c1 | | InChi: | InChI=1S/C9H11NO7/c10-5(9(12)13)1-4-2-6(11)8(17-15)3-7(4)16-14/h2-3,5,11,14-15H,1,10H2,(H,12,13)/t5-/m0/s1 | | Definition date: | 2010-07-19 | | Last modified: | 2023-11-03 | | Identifier: | 2,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine |
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 | | KL6 | | Name: | 1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide | | Formula: | C12 H19 N3 O4 S2 | | SMILES: | NS(=O)(=O)c1ccc2CCCN(CCNS(C)(=O)=O)c2c1 | | InChi: | InChI=1S/C12H19N3O4S2/c1-20(16,17)14-6-8-15-7-2-3-10-4-5-11(9-12(10)15)21(13,18)19/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,18,19) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide |
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 | | XX1 | | Name: | N~6~-7H-PURIN-6-YL-L-LYSINE | | Formula: | C11 H16 N6 O2 | | SMILES: | O=C(O)C(N)CCCCNc1ncnc2ncnc12 | | InChi: | InChI=1S/C11H16N6O2/c12-7(11(18)19)3-1-2-4-13-9-8-10(15-5-14-8)17-6-16-9/h5-7H,1-4,12H2,(H,18,19)(H2,13,14,15,16,17)/t7-/m0/s1 | | Definition date: | 2007-04-26 | | Last modified: | 2023-11-03 | | Identifier: | N~6~-7H-purin-6-yl-L-lysine |
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 | | TYI | | Name: | 3,5-DIIODOTYROSINE | | Formula: | C9 H9 I2 N O3 | | SMILES: | Ic1cc(cc(I)c1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H9I2NO3/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: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 3,5-diiodo-L-tyrosine |
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 | | TYJ | | Name: | 2,5-dihydroxy-N-methyl-L-tyrosine | | Formula: | C10 H13 N O5 | | SMILES: | O=C(O)C(NC)Cc1c(O)cc(O)c(O)c1 | | InChi: | InChI=1S/C10H13NO5/c1-11-6(10(15)16)2-5-3-8(13)9(14)4-7(5)12/h3-4,6,11-14H,2H2,1H3,(H,15,16)/t6-/m0/s1 | | Definition date: | 2011-02-09 | | Last modified: | 2023-11-03 | | Identifier: | 2,5-dihydroxy-N-methyl-L-tyrosine |
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 | | V61 | | Name: | 2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine | | Formula: | C9 H6 F4 I N O2 | | SMILES: | c1(c(c(c(c(c1F)CC(N)C(O)=O)F)F)I)F | | InChi: | InChI=1S/C9H6F4INO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1 | | Definition date: | 2020-07-06 | | Last modified: | 2023-11-03 | | Release date: | 2021-07-07 | | Identifier: | 2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine |
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 | | TYO | | Name: | (4Z,6E)-2-AMINO-7-HYDROPEROXY-4-[(E)-2-HYDROXYVINYL]HEPTA-4,6-DIENOIC ACID | | Formula: | C9 H13 N O5 | | SMILES: | O=C(O)C(N)CC(C=CO)=CC=COO | | InChi: | InChI=1S/C9H13NO5/c10-8(9(12)13)6-7(3-4-11)2-1-5-15-14/h1-5,8,11,14H,6,10H2,(H,12,13)/b4-3?,5-1+,7-2+/t8-/m0/s1 | | Definition date: | 2006-09-22 | | Last modified: | 2023-11-03 | | Identifier: | (2S,4Z,6E)-2-amino-7-hydroperoxy-4-[(E)-2-hydroxyethenyl]hepta-4,6-dienoic acid |
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 | | XXA | | Name: | 2,4,5-trideoxy-2-(methylamino)-4-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid | | Formula: | C11 H19 N O3 | | SMILES: | O=C(O)C(NC)C(O)C(C/C=C/C=C)C | | InChi: | InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5+/t8-,9+,10-/m1/s1 | | Definition date: | 2010-11-19 | | Last modified: | 2023-11-03 | | Identifier: | 2,4,5-trideoxy-2-(methylamino)-4-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid |
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 | | TYQ | | Name: | 3-AMINO-6-HYDROXY-TYROSINE | | Formula: | C9 H12 N2 O4 | | SMILES: | O=C(O)C(N)Cc1c(O)cc(O)c(N)c1 | | InChi: | InChI=1S/C9H12N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,12-13H,2,10-11H2,(H,14,15)/t6-/m0/s1 | | Definition date: | 1999-08-26 | | Last modified: | 2023-11-03 | | Identifier: | 3-amino-6-hydroxy-L-tyrosine |
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 | | TYS | | Name: | O-SULFO-L-TYROSINE | | Formula: | C9 H11 N O6 S | | SMILES: | O=C(O)C(N)Cc1ccc(OS(=O)(=O)O)cc1 | | InChi: | InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | O-sulfo-L-tyrosine |
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 | | VLT | | Name: | (2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid | | Formula: | C11 H13 N O3 | | SMILES: | O=C(O)C=CC(N)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C11H13NO3/c12-9(3-6-11(14)15)7-8-1-4-10(13)5-2-8/h1-6,9,13H,7,12H2,(H,14,15)/b6-3+/t9-/m1/s1 | | Definition date: | 2010-09-24 | | Last modified: | 2023-11-03 | | Identifier: | (2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid |
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 | | TYT | | Name: | TYROSINE DERIVATIVE | | Formula: | C18 H20 N2 O4 | | SMILES: | O=C(O)C(N)CC3C(=O)C=C(O)/C(=N/C2CC2c1ccccc1)C3 | | InChi: | InChI=1S/C18H20N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,9,11-14,22H,6-8,19H2,(H,23,24)/b20-15+ | | Synonyms: | 2-AMINO-3-[4-HYDROXY-6-OXO-3-(2-PHENYL-CYCLOPROPYLIMINO)-CYCLOHEXA-1,4-DIENYL]-PROPIONIC ACID | | Definition date: | 2002-06-21 | | Last modified: | 2023-11-03 | | Identifier: | 3-{(5E)-4-hydroxy-2-oxo-5-[(2-phenylcyclopropyl)imino]cyclohex-3-en-1-yl}alanine |
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 | | 0OB | | Name: | 3-(1-benzothiophen-2-yl)propanoic acid | | Formula: | C11 H10 O2 S | | SMILES: | O=C(O)CCc2sc1ccccc1c2 | | InChi: | InChI=1S/C11H10O2S/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2,(H,12,13) | | Definition date: | 2012-03-30 | | Last modified: | 2023-11-03 | | Release date: | 2012-10-05 | | Identifier: | 3-(1-benzothiophen-2-yl)propanoic acid |
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 | | KLR | | Name: | (2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide | | Formula: | C20 H24 N4 O | | SMILES: | CC(C)(C)NC(=O)C(Nc1ccc(CCC#N)cc1)c1cccnc1 | | InChi: | InChI=1S/C20H24N4O/c1-20(2,3)24-19(25)18(16-7-5-13-22-14-16)23-17-10-8-15(9-11-17)6-4-12-21/h5,7-11,13-14,18,23H,4,6H2,1-3H3,(H,24,25)/t18-/m0/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide |
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 | | TYY | | Name: | 3-(4-HYDROXY-3-IMINO-6-OXO-CYCLOHEXA-1,4-DIENYL)-ALANINE | | Formula: | C9 H10 N2 O4 | | SMILES: | O=C1C=C(O)C(=[N@H])C=C1CC(C(=O)O)N | | InChi: | InChI=1S/C9H10N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,10,13H,2,11H2,(H,14,15)/b10-5-/t6-/m0/s1 | | Definition date: | 1999-08-26 | | Last modified: | 2023-11-03 | | Identifier: | 3-[(3Z)-4-hydroxy-3-imino-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine |
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 | | VM9 | | Name: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine | | Formula: | C29 H31 Cl F5 N7 O | | SMILES: | FC1CC2(CCCN2C1)COc1nc2c(F)c(c3nc(N)cc(C)c3C(F)(F)F)c(Cl)cc2c(n1)N1CC2CCC(N2)C1 | | InChi: | InChI=1S/C29H31ClF5N7O/c1-14-7-20(36)38-25(22(14)29(33,34)35)21-19(30)8-18-24(23(21)32)39-27(40-26(18)41-11-16-3-4-17(12-41)37-16)43-13-28-5-2-6-42(28)10-15(31)9-28/h7-8,15-17,37H,2-6,9-13H2,1H3,(H2,36,38)/t15-,16-,17+,28+/m1/s1 | | Definition date: | 2023-09-13 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine |
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 | | XXY | | Name: | 2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate | | Formula: | C12 H16 N5 O4 | | SMILES: | [O-]c1c(nc(n1CC(=O)O)C(N)C(O)C)Cc2cncn2 | | InChi: | InChI=1S/C12H17N5O4/c1-6(18)10(13)11-16-8(2-7-3-14-5-15-7)12(21)17(11)4-9(19)20/h3,5-6,10,18,21H,2,4,13H2,1H3,(H,14,15)(H,19,20)/p-1/t6-,10+/m1/s1 | | Synonyms: | CHROMOPHORE THR-HIS-GLY | | Definition date: | 2006-02-10 | | Last modified: | 2023-11-03 | | Identifier: | 2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate |
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 | | ZYJ | | Name: | (4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline | | Formula: | C14 H18 N2 O5 | | SMILES: | O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2 | | InChi: | InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1 | | Definition date: | 2010-10-22 | | Last modified: | 2023-11-03 | | Identifier: | (4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline |
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 | | ZYK | | Name: | (4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline | | Formula: | C14 H18 N2 O6 | | SMILES: | O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2 | | InChi: | InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1 | | Synonyms: | 3,4-dimethoxybenzamidoxy proline | | Definition date: | 2010-10-22 | | Last modified: | 2023-11-03 | | Identifier: | (4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline |
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 | | XY1 | | Name: | 4-[(E)-[5-(2-azanylethyl)-2-oxidanyl-phenyl]diazenyl]benzoic acid | | Formula: | C15 H15 N3 O3 | | SMILES: | O=C(O)c2ccc(/N=N/c1cc(ccc1O)CCN)cc2 | | InChi: | InChI=1S/C15H15N3O3/c16-8-7-10-1-6-14(19)13(9-10)18-17-12-4-2-11(3-5-12)15(20)21/h1-6,9,19H,7-8,16H2,(H,20,21)/b18-17+ | | Synonyms: | 4-[5-(2-Aminoethyl)-2-hydroxyphenylazo]-benzoic acid | | Definition date: | 2013-03-12 | | Last modified: | 2023-11-03 | | Release date: | 2014-03-26 | | Identifier: | 4-{(E)-[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl}benzoic acid |
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 | | KMF | | Name: | N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide | | Formula: | C19 H23 N3 O2 | | SMILES: | CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc32)CC1 | | InChi: | InChI=1S/C19H23N3O2/c1-15(23)22-13-11-21(12-14-22)10-9-20-19(24)18-8-4-6-16-5-2-3-7-17(16)18/h2-8H,9-14H2,1H3,(H,20,24) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide |
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 | | XYG | | Name: | [(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | | Formula: | C14 H13 N3 O4 | | SMILES: | O=C1C(N=C(C(=[N@H])C)N1CC(=O)O)=Cc2ccc(O)cc2 | | InChi: | InChI=1S/C14H13N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,15,18H,7H2,1H3,(H,19,20)/b11-6-,15-8+ | | Synonyms: | CHROMOPHORE (DECARBOXYLATED ASP-TYR-GLY) | | Definition date: | 2006-11-16 | | Last modified: | 2023-11-03 | | Identifier: | {(4Z)-2-[(1E)-ethanimidoyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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