 | | 192 | | Name: | 1-AMINOCYCLOBUTANECARBOXLIC ACID | | Formula: | C5 H9 N O2 | | SMILES: | O=C(O)C1(N)CCC1 | | InChi: | InChI=1S/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8) | | Definition date: | 2004-11-23 | | Last modified: | 2023-11-03 | | Identifier: | 1-aminocyclobutanecarboxylic acid |
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 | | 19W | | Name: | 5-(aminooxy)-L-norvaline | | Formula: | C5 H12 N2 O3 | | SMILES: | O=C(O)C(N)CCCON | | InChi: | InChI=1S/C5H12N2O3/c6-4(5(8)9)2-1-3-10-7/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 | | Definition date: | 2012-11-12 | | Last modified: | 2023-11-03 | | Release date: | 2013-08-21 | | Identifier: | 5-(aminooxy)-L-norvaline |
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 | | 1AC | | Name: | 1-AMINOCYCLOPROPANECARBOXYLIC ACID | | Formula: | C4 H7 N O2 | | SMILES: | O=C(O)C1(N)CC1 | | InChi: | InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) | | Definition date: | 2002-11-27 | | Last modified: | 2023-11-03 | | Identifier: | 1-aminocyclopropanecarboxylic acid |
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 | | 1C3 | | Name: | 1-(3,4,5-trimethoxybenzyl)-L-proline | | Formula: | C15 H21 N O5 | | SMILES: | O=C(O)C2N(Cc1cc(OC)c(OC)c(OC)c1)CCC2 | | InChi: | InChI=1S/C15H21NO5/c1-19-12-7-10(8-13(20-2)14(12)21-3)9-16-6-4-5-11(16)15(17)18/h7-8,11H,4-6,9H2,1-3H3,(H,17,18)/t11-/m0/s1 | | Definition date: | 2012-11-30 | | Last modified: | 2023-11-03 | | Release date: | 2013-04-03 | | Identifier: | 1-(3,4,5-trimethoxybenzyl)-L-proline |
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 | | 1E3 | | Name: | (2S)-2,9-diaminononanoic acid | | Formula: | C9 H20 N2 O2 | | SMILES: | O=C(O)C(N)CCCCCCCN | | InChi: | InChI=1S/C9H20N2O2/c10-7-5-3-1-2-4-6-8(11)9(12)13/h8H,1-7,10-11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2012-12-18 | | Last modified: | 2023-11-03 | | Release date: | 2013-03-06 | | Identifier: | (2S)-2,9-diaminononanoic acid |
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 | | M6I | | Name: | N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea | | Formula: | C12 H10 Cl N3 O | | SMILES: | O=C(Nc1cccnc1)Nc1cccc(Cl)c1 | | InChi: | InChI=1S/C12H10ClN3O/c13-9-3-1-4-10(7-9)15-12(17)16-11-5-2-6-14-8-11/h1-8H,(H2,15,16,17) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea |
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 | | M6U | | Name: | N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide | | Formula: | C15 H14 F3 N3 O | | SMILES: | FC(F)(F)c1cccc(CC(=O)Nc2cnccc2CC)n1 | | InChi: | InChI=1S/C15H14F3N3O/c1-2-10-6-7-19-9-12(10)21-14(22)8-11-4-3-5-13(20-11)15(16,17)18/h3-7,9H,2,8H2,1H3,(H,21,22) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide |
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 | | M7X | | Name: | 2-(3-chlorophenyl)-N-(5-methylpyridin-3-yl)acetamide | | Formula: | C14 H13 Cl N2 O | | SMILES: | O=C(Nc1cc(C)cnc1)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C14H13ClN2O/c1-10-5-13(9-16-8-10)17-14(18)7-11-3-2-4-12(15)6-11/h2-6,8-9H,7H2,1H3,(H,17,18) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(5-methylpyridin-3-yl)acetamide |
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 | | M93 | | Name: | (4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C16 H15 Cl N2 O3 | | SMILES: | OCc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C16H15ClN2O3/c17-11-1-2-15-13(7-11)12(4-6-22-15)16(21)19-14-8-18-5-3-10(14)9-20/h1-3,5,7-8,12,20H,4,6,9H2,(H,19,21)/t12-/m1/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | M9U | | Name: | (4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C15 H15 Cl N4 O2 | | SMILES: | Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1C1CC1 | | InChi: | InChI=1S/C15H15ClN4O2/c16-9-1-4-13-12(7-9)11(5-6-22-13)14(21)18-15-19-17-8-20(15)10-2-3-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,18,19,21)/t11-/m0/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | 1HB | | Name: | (4S)-4-amino-5-hydroxy-N,N-dimethylpentanamide | | Formula: | C7 H16 N2 O2 | | SMILES: | O=C(N(C)C)CCC(N)CO | | InChi: | InChI=1S/C7H16N2O2/c1-9(2)7(11)4-3-6(8)5-10/h6,10H,3-5,8H2,1-2H3/t6-/m0/s1 | | Synonyms: | N,N-dimethyl-L-glutamine aldehyde, bound form | | Definition date: | 2013-02-04 | | Last modified: | 2023-11-03 | | Release date: | 2013-02-15 | | Identifier: | (4S)-4-amino-5-hydroxy-N,N-dimethylpentanamide |
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 | | 1HD | | Name: | N-[(2S)-2-amino-3-hydroxypropyl]acetamide | | Formula: | C5 H12 N2 O2 | | SMILES: | O=C(NCC(N)CO)C | | InChi: | InChI=1S/C5H12N2O2/c1-4(9)7-2-5(6)3-8/h5,8H,2-3,6H2,1H3,(H,7,9)/t5-/m0/s1 | | Definition date: | 2013-02-05 | | Last modified: | 2023-11-03 | | Release date: | 2013-02-15 | | Identifier: | N-[(2S)-2-amino-3-hydroxypropyl]acetamide |
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 | | MF0 | | Name: | (2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide | | Formula: | C14 H14 Cl N3 O | | SMILES: | O=C(Nc1cnccc1C)C(C)c1cc(Cl)cnc1 | | InChi: | InChI=1S/C14H14ClN3O/c1-9-3-4-16-8-13(9)18-14(19)10(2)11-5-12(15)7-17-6-11/h3-8,10H,1-2H3,(H,18,19)/t10-/m1/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide |
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 | | MFH | | Name: | [(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid | | Formula: | C10 H14 N2 O3 | | SMILES: | N[CH](CNC(O)=O)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C10H14N2O3/c11-8(6-12-10(14)15)5-7-1-3-9(13)4-2-7/h1-4,8,12-13H,5-6,11H2,(H,14,15)/t8-/m0/s1 | | Definition date: | 2019-10-12 | | Last modified: | 2023-11-03 | | Release date: | 2021-02-17 | | Identifier: | [(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid |
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 | | MFV | | Name: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C16 H19 N3 O5 | | SMILES: | NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(C)c(cc2)O | | InChi: | InChI=1S/C16H19N3O5/c1-8-5-10(3-4-12(8)21)6-11-16(24)19(7-13(22)23)15(18-11)14(17)9(2)20/h3-6,9,14,20-21H,7,17H2,1-2H3,(H,22,23)/b11-6-/t9-,14+/m1/s1 | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2019-04-02 | | Last modified: | 2023-11-03 | | Release date: | 2019-07-10 | | Identifier: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | 1JM | | Name: | 4-carboxy-N-methyl-D-phenylalanine | | Formula: | C11 H13 N O4 | | SMILES: | O=C(O)C(NC)Cc1ccc(cc1)C(=O)O | | InChi: | InChI=1S/C11H13NO4/c1-12-9(11(15)16)6-7-2-4-8(5-3-7)10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1 | | Definition date: | 2013-02-15 | | Last modified: | 2023-11-03 | | Release date: | 2013-11-06 | | Identifier: | 4-carboxy-N-methyl-D-phenylalanine |
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 | | 1KC | | Name: | (3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid | | Formula: | C8 H14 O3 S | | SMILES: | CSCCC=C[CH](O)CC(O)=O | | InChi: | InChI=1S/C8H14O3S/c1-12-5-3-2-4-7(9)6-8(10)11/h2,4,7,9H,3,5-6H2,1H3,(H,10,11)/b4-2-/t7-/m1/s1 | | Definition date: | 2013-03-04 | | Last modified: | 2023-11-03 | | Release date: | 2014-03-05 | | Identifier: | (3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid |
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 | | MHW | | Name: | 3-HYDROXYPICOLINIC ACID | | Formula: | C6 H5 N O3 | | SMILES: | O=C(O)c1ncccc1O | | InChi: | InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10) | | Definition date: | 2010-07-15 | | Last modified: | 2023-11-03 | | Identifier: | 3-hydroxypyridine-2-carboxylic acid |
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 | | MHY | | Name: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C15 H15 F2 N3 O5 | | SMILES: | NC(C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2)F)O)C(O)C | | InChi: | InChI=1S/C15H15F2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6,12,21,24H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1 | | Definition date: | 2019-04-02 | | Last modified: | 2023-11-03 | | Release date: | 2020-04-08 | | Identifier: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | MJ1 | | Name: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C15 H15 F2 N3 O5 | | SMILES: | C1(=NC(C(N1CC(O)=O)=O)=[C@H]c2c(c(F)c(cc2)O)F)C(C(O)C)N | | InChi: | InChI=1S/C15H15F2N3O5/c1-6(21)13(18)14-19-8(15(25)20(14)5-10(23)24)4-7-2-3-9(22)12(17)11(7)16/h2-4,6,13,21-22H,5,18H2,1H3,(H,23,24)/b8-4-/t6-,13+/m1/s1 | | Definition date: | 2019-04-02 | | Last modified: | 2023-11-03 | | Release date: | 2020-04-08 | | Identifier: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | 1MH | | Name: | 3-pyridin-3-yl-L-alanine | | Formula: | C8 H10 N2 O2 | | SMILES: | O=C(O)C(N)Cc1cccnc1 | | InChi: | InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1 | | Definition date: | 2013-03-28 | | Last modified: | 2023-11-03 | | Release date: | 2013-06-12 | | Identifier: | 3-pyridin-3-yl-L-alanine |
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 | | MJR | | Name: | 2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide | | Formula: | C12 H12 Cl N3 O | | SMILES: | O=C(Nc1c[NH]nc1C)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C12H12ClN3O/c1-8-11(7-14-16-8)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide |
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 | | MKD | | Name: | (2S)-2-amino-2-methyloctanoic acid | | Formula: | C9 H19 N O2 | | SMILES: | O=C(O)C(N)(CCCCCC)C | | InChi: | InChI=1S/C9H19NO2/c1-3-4-5-6-7-9(2,10)8(11)12/h3-7,10H2,1-2H3,(H,11,12)/t9-/m0/s1 | | Definition date: | 2013-11-01 | | Last modified: | 2023-11-03 | | Release date: | 2014-02-19 | | Identifier: | (2S)-2-amino-2-methyloctanoic acid |
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 | | MKI | | Name: | 2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C15 H15 Cl N2 O | | SMILES: | Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C15H15ClN2O/c1-11-6-7-17-10-14(11)18(2)15(19)9-12-4-3-5-13(16)8-12/h3-8,10H,9H2,1-2H3 | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide |
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 | | I1C | | Name: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C15 H16 I N3 O5 | | SMILES: | C(O)(C)C(C2=NC(=[C@H]c1cc(I)c(cc1)O)C(N2CC(O)=O)=O)N | | InChi: | InChI=1S/C15H16IN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1 | | Definition date: | 2019-04-02 | | Last modified: | 2023-11-03 | | Release date: | 2020-04-08 | | Identifier: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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