 | | Q78 | | Name: | L-3-Thienylalanine | | Formula: | C7 H9 N O2 S | | SMILES: | N[CH](Cc1cscc1)C(O)=O | | InChi: | InChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1 | | Synonyms: | (2S)-2-azanyl-3-thiophen-3-yl-propanoic acid | | Definition date: | 2020-05-26 | | Last modified: | 2023-11-03 | | Release date: | 2021-04-28 | | Identifier: | (2~{S})-2-azanyl-3-thiophen-3-yl-propanoic acid |
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 | | Q7C | | Name: | N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide | | Formula: | C9 H16 N2 O4 S | | SMILES: | O=S1(=O)CCC(C1)N(CCC(N)=O)C(C)=O | | InChi: | InChI=1S/C9H16N2O4S/c1-7(12)11(4-2-9(10)13)8-3-5-16(14,15)6-8/h8H,2-6H2,1H3,(H2,10,13)/t8-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide |
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 | | BF6 | | Name: | [(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | | Formula: | C20 H17 N3 O4 | | SMILES: | C(=C1N=C(CN)N(CC(O)=O)C1=O)c3ccc(C(c2ccccc2)=O)cc3 | | InChi: | InChI=1S/C20H17N3O4/c21-11-17-22-16(20(27)23(17)12-18(24)25)10-13-6-8-15(9-7-13)19(26)14-4-2-1-3-5-14/h1-10H,11-12,21H2,(H,24,25)/b16-10- | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2018-12-20 | | Last modified: | 2023-11-03 | | Release date: | 2019-01-30 | | Identifier: | [(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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 | | BF7 | | Name: | 4-bromo-D-phenylalanine | | Formula: | C9 H10 Br N O2 | | SMILES: | NC(Cc1ccc(cc1)Br)C(=O)O | | InChi: | InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1 | | Definition date: | 2019-07-18 | | Last modified: | 2023-11-03 | | Release date: | 2020-07-01 | | Identifier: | 4-bromo-D-phenylalanine |
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 | | BF9 | | Name: | [(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | | Formula: | C22 H21 N3 O5 | | SMILES: | c1ccccc1C(c3ccc(C=C2C(N(C(C(C(O)C)N)=N2)CC(=O)O)=O)cc3)=O | | InChi: | InChI=1S/C22H21N3O5/c1-13(26)19(23)21-24-17(22(30)25(21)12-18(27)28)11-14-7-9-16(10-8-14)20(29)15-5-3-2-4-6-15/h2-11,13,19,26H,12,23H2,1H3,(H,27,28)/b17-11-/t13-,19-/m0/s1 | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2018-12-19 | | Last modified: | 2023-11-03 | | Release date: | 2019-01-30 | | Identifier: | [(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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 | | Q8I | | Name: | 1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine | | Formula: | C10 H11 F N2 | | SMILES: | Fc1cc2c(cc1)[NH]cc2CNC | | InChi: | InChI=1S/C10H11FN2/c1-12-5-7-6-13-10-3-2-8(11)4-9(7)10/h2-4,6,12-13H,5H2,1H3 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine |
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 | | Q8O | | Name: | 2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C15 H14 N4 O | | SMILES: | Cc1ccncc1NC(=O)Cc1ccc2nc[NH]c2c1 | | InChi: | InChI=1S/C15H14N4O/c1-10-4-5-16-8-14(10)19-15(20)7-11-2-3-12-13(6-11)18-9-17-12/h2-6,8-9H,7H2,1H3,(H,17,18)(H,19,20) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | Q99 | | Name: | N-[2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide | | Formula: | C21 H18 Cl N3 O5 | | SMILES: | O=C1Nc2ccccc2C(=C1)C(=O)NCCOc1cc(Cl)cc(OC2CC(=O)N2)c1 | | InChi: | InChI=1S/C21H18ClN3O5/c22-12-7-13(9-14(8-12)30-20-11-19(27)25-20)29-6-5-23-21(28)16-10-18(26)24-17-4-2-1-3-15(16)17/h1-4,7-10,20H,5-6,11H2,(H,23,28)(H,24,26)(H,25,27)/t20-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
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 | | BH2 | | Name: | (3R)-3-hydroxy-L-aspartic acid | | Formula: | C4 H7 N O5 | | SMILES: | O=C(O)C(O)C(C(=O)O)N | | InChi: | InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1 | | Definition date: | 2011-01-07 | | Last modified: | 2023-11-03 | | Identifier: | (3R)-3-hydroxy-L-aspartic acid |
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 | | BHD | | Name: | (3S)-3-hydroxy-L-aspartic acid | | Formula: | C4 H7 N O5 | | SMILES: | O=C(O)C(O)C(C(=O)O)N | | InChi: | InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1 | | Synonyms: | BETA-HYDROXYASPARTIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (3S)-3-hydroxy-L-aspartic acid |
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 | | PH6 | | Name: | (4S)-4-cyclohexyl-L-proline | | Formula: | C11 H19 N O2 | | SMILES: | O=C(O)C2NCC(C1CCCCC1)C2 | | InChi: | InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1 | | Definition date: | 2015-02-06 | | Last modified: | 2023-11-03 | | Release date: | 2015-06-03 | | Identifier: | (4S)-4-cyclohexyl-L-proline |
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 | | PH8 | | Name: | 5-phenyl-L-norvaline | | Formula: | C11 H15 N O2 | | SMILES: | C(O)(=O)C(N)CCCc1ccccc1 | | InChi: | InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m0/s1 | | Definition date: | 2015-03-10 | | Last modified: | 2023-11-03 | | Release date: | 2015-04-15 | | Identifier: | 5-phenyl-L-norvaline |
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 | | PHA | | Name: | PHENYLALANINAL | | Formula: | C9 H11 N O | | SMILES: | O=CC(N)Cc1ccccc1 | | InChi: | InChI=1S/C9H11NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6,10H2/t9-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-amino-3-phenylpropanal |
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 | | PHE | | Name: | PHENYLALANINE | | Formula: | C9 H11 N O2 | | SMILES: | O=C(O)C(N)Cc1ccccc1 | | InChi: | InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | L-phenylalanine |
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 | | PHI | | Name: | IODO-PHENYLALANINE | | Formula: | C9 H10 I N O2 | | SMILES: | Ic1ccc(cc1)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 4-iodo-L-phenylalanine |
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 | | PHL | | Name: | L-PHENYLALANINOL | | Formula: | C9 H13 N O | | SMILES: | OCC(N)Cc1ccccc1 | | InChi: | InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1 | | Synonyms: | bound form of Phenylalaninal | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-amino-3-phenylpropan-1-ol |
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 | | PHQ | | Name: | benzyl chlorocarbonate | | Formula: | C8 H7 Cl O2 | | SMILES: | ClC(=O)OCc1ccccc1 | | InChi: | InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2 | | Definition date: | 1999-07-15 | | Last modified: | 2023-11-03 | | Identifier: | benzyl carbonochloridate |
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 | | BIF | | Name: | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | | Formula: | C15 H15 N O2 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)c2ccccc2 | | InChi: | InChI=1S/C15H15NO2/c16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1 | | Synonyms: | BIPHENYLALANINE | | Definition date: | 2005-03-29 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-amino-3-biphenyl-4-ylpropanoic acid (non-preferred name) |
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 | | PIV | | Name: | PIVALIC ACID | | Formula: | C5 H10 O2 | | SMILES: | O=C(O)C(C)(C)C | | InChi: | InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7) | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 2,2-dimethylpropanoic acid |
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 | | BJO | | Name: | (4Z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2H-imidazol-2-ylidene}butanoic acid | | Formula: | C16 H15 N3 O6 | | SMILES: | O=C(CCC(=C2/N=C(C=C1/C=CC(C=C1)=O)C(=O)N2CC(=O)O)N)O | | InChi: | InChI=1S/C16H15N3O6/c17-11(5-6-13(21)22)15-18-12(16(25)19(15)8-14(23)24)7-9-1-3-10(20)4-2-9/h1-4,7H,5-6,8,17H2,(H,21,22)(H,23,24)/b15-11- | | Synonyms: | CHROMOPHORE (GLU-TYR-GLY) | | Definition date: | 2019-02-07 | | Last modified: | 2023-11-03 | | Release date: | 2019-03-20 | | Identifier: | (4Z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2H-imidazol-2-ylidene}butanoic acid |
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 | | PJ6 | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C20 H17 Cl N2 O3 | | SMILES: | Clc1ccc2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H17ClN2O3/c1-25-20(8-9-26-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | PJE | | Name: | (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid | | Formula: | C9 H14 N2 O3 | | SMILES: | N[CH](C[CH]1CCNC1=O)C=CC(O)=O | | InChi: | InChI=1S/C9H14N2O3/c10-7(1-2-8(12)13)5-6-3-4-11-9(6)14/h1-2,6-7H,3-5,10H2,(H,11,14)(H,12,13)/b2-1+/t6-,7+/m0/s1 | | Definition date: | 2015-11-24 | | Last modified: | 2023-11-03 | | Release date: | 2015-12-02 | | Identifier: | (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid |
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 | | PJJ | | Name: | (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid | | Formula: | C19 H23 N O3 | | SMILES: | O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2 | | InChi: | InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1 | | Definition date: | 2010-08-20 | | Last modified: | 2023-11-03 | | Identifier: | (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid |
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 | | PJX | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C20 H18 Cl N3 O | | SMILES: | Clc1ccc2c(c1)C(CCN2C)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H18ClN3O/c1-24-9-8-16(17-10-14(21)6-7-19(17)24)20(25)23-18-12-22-11-13-4-2-3-5-15(13)18/h2-7,10-12,16H,8-9H2,1H3,(H,23,25)/t16-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | PKW | | Name: | (4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C17 H15 Cl N4 O2 | | SMILES: | Cn1cnc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c12 | | InChi: | InChI=1S/C17H15ClN4O2/c1-22-9-20-13-7-19-8-14(16(13)22)21-17(23)11-4-5-24-15-3-2-10(18)6-12(11)15/h2-3,6-9,11H,4-5H2,1H3,(H,21,23)/t11-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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