 | | JG3 | | Name: | 1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline | | Formula: | C15 H22 N2 O3 | | SMILES: | O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C15H22N2O3/c16-12(9-11-5-2-1-3-6-11)14(18)10-17-8-4-7-13(17)15(19)20/h1-3,5-6,12-14,18H,4,7-10,16H2,(H,19,20)/t12-,13-,14-/m0/s1 | | Definition date: | 2010-09-13 | | Last modified: | 2023-11-03 | | Identifier: | 1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline |
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 | | JKH | | Name: | 4-amino-Proline | | Formula: | C5 H11 N2 O2 | | SMILES: | [NH3+][CH]1CN[CH](C1)C(O)=O | | InChi: | InChI=1S/C5H10N2O2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2,6H2,(H,8,9)/p+1/t3-,4-/m0/s1 | | Definition date: | 2019-03-07 | | Last modified: | 2023-11-03 | | Release date: | 2019-05-29 | | Identifier: | [(3~{S},5~{S})-5-carboxypyrrolidin-3-yl]azanium |
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 | | JLP | | Name: | (2S)-2-azanyl-6-[E-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid | | Formula: | C14 H21 N3 O4 | | SMILES: | Cc1ncc(CO)c(C=NCCCC[CH](N)C(O)=O)c1O | | InChi: | InChI=1S/C14H21N3O4/c1-9-13(19)11(10(8-18)6-17-9)7-16-5-3-2-4-12(15)14(20)21/h6-7,12,18-19H,2-5,8,15H2,1H3,(H,20,21)/b16-7+/t12-/m0/s1 | | Definition date: | 2018-06-03 | | Last modified: | 2023-11-03 | | Release date: | 2019-05-29 | | Identifier: | (2~{S})-2-azanyl-6-[(~{E})-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid |
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 | | OYF | | Name: | (4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C18 H14 Cl N3 O2 | | SMILES: | Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2cnccc21 | | InChi: | InChI=1S/C18H14ClN3O2/c19-12-1-2-17-15(7-12)14(4-6-24-17)18(23)22-16-10-21-9-11-8-20-5-3-13(11)16/h1-3,5,7-10,14H,4,6H2,(H,22,23)/t14-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | OYL | | Name: | 1-ethyl-L-histidine | | Formula: | C8 H13 N3 O2 | | SMILES: | O=C(O)C(N)Cc1ncn(c1)CC | | InChi: | InChI=1S/C8H13N3O2/c1-2-11-4-6(10-5-11)3-7(9)8(12)13/h4-5,7H,2-3,9H2,1H3,(H,12,13)/t7-/m0/s1 | | Definition date: | 2014-02-28 | | Last modified: | 2023-11-03 | | Release date: | 2014-06-25 | | Identifier: | 1-ethyl-L-histidine |
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 | | OYX | | Name: | N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide | | Formula: | C24 H28 N2 O S | | SMILES: | O=C(Cc1cncc2ccccc21)N(CCC1CCCCC1)Cc1cccs1 | | InChi: | InChI=1S/C24H28N2OS/c27-24(15-21-17-25-16-20-9-4-5-11-23(20)21)26(18-22-10-6-14-28-22)13-12-19-7-2-1-3-8-19/h4-6,9-11,14,16-17,19H,1-3,7-8,12-13,15,18H2 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide |
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 | | OZ3 | | Name: | 5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine | | Formula: | C9 H12 N3 | | SMILES: | NCc1ccc2C(=[NH+]Cc2c1)N | | InChi: | InChI=1S/C9H11N3/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,4-5,10H2,(H2,11,12)/p+1 | | Definition date: | 2022-09-28 | | Last modified: | 2023-11-03 | | Release date: | 2023-10-04 | | Identifier: | 5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine |
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 | | OZC | | Name: | (3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one | | Formula: | C20 H17 Cl N2 O | | SMILES: | Clc1ccc(cc1)C1CCCN(c2cncc3ccccc23)C1=O | | InChi: | InChI=1S/C20H17ClN2O/c21-16-9-7-14(8-10-16)18-6-3-11-23(20(18)24)19-13-22-12-15-4-1-2-5-17(15)19/h1-2,4-5,7-10,12-13,18H,3,6,11H2/t18-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one |
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 | | OZW | | Name: | phenylhydrazinyl phenylalanine | | Formula: | C15 H17 N3 O2 | | SMILES: | N[CH](Cc1ccc(NNc2ccccc2)cc1)C(O)=O | | InChi: | InChI=1S/C15H17N3O2/c16-14(15(19)20)10-11-6-8-13(9-7-11)18-17-12-4-2-1-3-5-12/h1-9,14,17-18H,10,16H2,(H,19,20)/t14-/m0/s1 | | Definition date: | 2020-04-13 | | Last modified: | 2023-11-03 | | Release date: | 2020-07-22 | | Identifier: | (2~{S})-2-azanyl-3-[4-(2-phenylhydrazinyl)phenyl]propanoic acid |
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 | | OZX | | Name: | 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C16 H12 Cl N3 O | | SMILES: | Clc1cccc(CC(=O)Nc2cncc3ccccc32)n1 | | InChi: | InChI=1S/C16H12ClN3O/c17-15-7-3-5-12(19-15)8-16(21)20-14-10-18-9-11-4-1-2-6-13(11)14/h1-7,9-10H,8H2,(H,20,21) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
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 | | P0X | | Name: | 4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one | | Formula: | C20 H16 Cl N3 O3 | | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1 | | InChi: | InChI=1S/C20H16ClN3O3/c21-13-4-3-5-14(10-13)24-9-8-23(12-19(24)26)20(27)16-11-18(25)22-17-7-2-1-6-15(16)17/h1-7,10-11H,8-9,12H2,(H,22,25) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one |
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 | | P1V | | Name: | (2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid | | Formula: | C9 H16 N4 O2 | | SMILES: | Cc1[nH]nc(CCCC[CH](N)C(O)=O)n1 | | InChi: | InChI=1S/C9H16N4O2/c1-6-11-8(13-12-6)5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1 | | Definition date: | 2022-09-29 | | Last modified: | 2023-11-03 | | Release date: | 2023-01-11 | | Identifier: | (2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid |
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 | | A0G | | Name: | (2Z)-2-amino-3-hydroxyprop-2-enoic acid | | Formula: | C3 H5 N O3 | | SMILES: | C(=O)(/C(N)=C/O)O | | InChi: | InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1,5H,4H2,(H,6,7)/b2-1- | | Definition date: | 2017-06-30 | | Last modified: | 2023-11-03 | | Release date: | 2019-09-18 | | Identifier: | (2Z)-2-amino-3-hydroxyprop-2-enoic acid |
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 | | P2Q | | Name: | 2-hydroxy-5-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1yl]amino}-L-tyrosine | | Formula: | C20 H22 N2 O6 | | SMILES: | N[CH](Cc1cc(N[CH](C=O)C=CCOc2ccccc2)c(O)cc1O)C(O)=O | | InChi: | InChI=1S/C20H22N2O6/c21-16(20(26)27)9-13-10-17(19(25)11-18(13)24)22-14(12-23)5-4-8-28-15-6-2-1-3-7-15/h1-7,10-12,14,16,22,24-25H,8-9,21H2,(H,26,27)/b5-4+/t14-,16-/m0/s1 | | Synonyms: | 3-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1-yl]amino}-6-hydroxy-L-tyrosine | | Definition date: | 2009-11-10 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E,2S)-1-oxo-5-phenoxy-pent-3-en-2-yl]amino]phenyl]propanoic acid |
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 | | A1G | | Name: | (2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid | | Formula: | C12 H19 N O2 | | SMILES: | O=C(O)C(C13CC2CC(C1)CC(C2)C3)N | | InChi: | InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)/t7-,8+,9-,10-,12-/m1/s1 | | Definition date: | 2016-04-28 | | Last modified: | 2023-11-03 | | Release date: | 2017-05-10 | | Identifier: | (2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid |
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 | | P3L | | Name: | (4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C15 H17 Cl N2 O3 | | SMILES: | O=C1CC(CCN1)NC(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C15H17ClN2O3/c16-9-1-2-13-12(7-9)11(4-6-21-13)15(20)18-10-3-5-17-14(19)8-10/h1-2,7,10-11H,3-6,8H2,(H,17,19)(H,18,20)/t10-,11-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | P3Q | | Name: | 2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine | | Formula: | C21 H24 N2 O5 | | SMILES: | N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O | | InChi: | InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1 | | Definition date: | 2009-11-19 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E)-1-oxo-6-phenyl-hex-2-en-3-yl]amino]phenyl]propanoic acid |
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 | | P4E | | Name: | (2S,4E)-2-amino-5-phenylpent-4-enoic acid | | Formula: | C11 H13 N O2 | | SMILES: | O=C(O)C(N)C/C=C/c1ccccc1 | | InChi: | InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1 | | Definition date: | 2011-10-13 | | Last modified: | 2023-11-03 | | Identifier: | (2S,4E)-2-amino-5-phenylpent-4-enoic acid |
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 | | P4R | | Name: | (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione | | Formula: | C20 H14 Cl N3 O3 | | SMILES: | Clc1ccc2OCCC3(NC(=O)N(C3=O)c3cncc4ccccc43)c2c1 | | InChi: | InChI=1S/C20H14ClN3O3/c21-13-5-6-17-15(9-13)20(7-8-27-17)18(25)24(19(26)23-20)16-11-22-10-12-3-1-2-4-14(12)16/h1-6,9-11H,7-8H2,(H,23,26)/t20-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione |
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 | | A30 | | Name: | O-ethyl-L-tyrosine | | Formula: | C11 H15 N O3 | | SMILES: | CCOc1ccc(cc1)CC(N)C(=O)O | | InChi: | InChI=1S/C11H15NO3/c1-2-15-9-5-3-8(4-6-9)7-10(12)11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m0/s1 | | Definition date: | 2021-11-04 | | Last modified: | 2023-11-03 | | Release date: | 2022-06-01 | | Identifier: | O-ethyl-L-tyrosine |
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 | | A3U | | Name: | 4-acetamido-L-phenylalanine | | Formula: | C11 H14 N2 O3 | | SMILES: | O=C(C)Nc1ccc(cc1)CC(N)C(=O)O | | InChi: | InChI=1S/C11H14N2O3/c1-7(14)13-9-4-2-8(3-5-9)6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1 | | Definition date: | 2021-11-04 | | Last modified: | 2023-11-03 | | Release date: | 2022-06-01 | | Identifier: | 4-acetamido-L-phenylalanine |
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 | | P6O | | Name: | (4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C19 H14 Cl N3 O3 | | SMILES: | Clc1ccc2NC(=O)CC(O)(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C19H14ClN3O3/c20-12-5-6-15-14(7-12)19(26,8-17(24)22-15)18(25)23-16-10-21-9-11-3-1-2-4-13(11)16/h1-7,9-10,26H,8H2,(H,22,24)(H,23,25)/t19-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | P6S | | Name: | benzyl hydrogen carbonate | | Formula: | C8 H8 O3 | | SMILES: | C(OC(=O)O)c1ccccc1 | | InChi: | InChI=1S/C8H8O3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) | | Definition date: | 2019-08-02 | | Last modified: | 2023-11-03 | | Release date: | 2020-02-05 | | Identifier: | benzyl hydrogen carbonate |
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 | | P7R | | Name: | (4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C17 H15 Cl N4 O3 | | SMILES: | CN1c2c(NC1=O)cncc2NC(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C17H15ClN4O3/c1-22-15-12(7-19-8-13(15)21-17(22)24)20-16(23)10-4-5-25-14-3-2-9(18)6-11(10)14/h2-3,6-8,10H,4-5H2,1H3,(H,20,23)(H,21,24)/t10-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | P9O | | Name: | (4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C18 H18 Cl N3 O2 | | SMILES: | Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2CCNCc21 | | InChi: | InChI=1S/C18H18ClN3O2/c19-12-1-2-17-14(7-12)13(4-6-24-17)18(23)22-16-10-21-8-11-3-5-20-9-15(11)16/h1-2,7-8,10,13,20H,3-6,9H2,(H,22,23)/t13-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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