 | 22G | 表記: | N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine | 組成式: | C18 H22 N2 O3 | SMILES: | O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccc(O)cc2 | InChi: | InChI=1S/C18H22N2O3/c19-15(10-13-4-2-1-3-5-13)12-20-17(18(22)23)11-14-6-8-16(21)9-7-14/h1-9,15,17,20-21H,10-12,19H2,(H,22,23)/t15-,17-/m0/s1 | 定義日: | 2013-08-23 | 最終更新日: | 2024-09-27 | 公開日: | 2014-01-15 | 識別子(ID): | N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine |
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 | DXU | 表記: | (3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl}
-5-methyl-1,2-oxazolidine-4-carboxamide | 組成式: | C19 H25 Cl2 N3 O5 S | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(O)O)(C)C)C3C(c2c(Cl)cccc2Cl)NOC3C | InChi: | InChI=1S/C19H25Cl2N3O5S/c1-8-12(14(24-29-8)13-9(20)5-4-6-10(13)21)16(26)22-11(7-25)17-23-15(18(27)28)19(2,3)30-17/h4-8,11-12,14-15,17-18,23-24,27-28H,1-3H3,(H,22,26)/t8-,11-,12+,14-,15+,17-/m1/s1 | 別名: | dicloxacillin - open form | 定義日: | 2014-08-25 | 最終更新日: | 2024-09-27 | 公開日: | 2014-09-17 | 識別子(ID): | (3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl}-5-methyl-1,2-oxazolidine-4-carboxamide |
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 | 22Q | 表記: | (3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione | 組成式: | C9 H12 N2 O2 S | SMILES: | O=C1C(=N/C(C(=O)N1)=CS)CC(C)C | InChi: | InChI=1S/C9H12N2O2S/c1-5(2)3-6-8(12)11-9(13)7(4-14)10-6/h4-5,14H,3H2,1-2H3,(H,11,12,13)/b7-4- | 定義日: | 2014-03-12 | 最終更新日: | 2024-09-27 | 公開日: | 2015-05-20 | 識別子(ID): | (3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione |
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 | DXX | 表記: | METHYLMALONIC ACID | 組成式: | C4 H6 O4 | SMILES: | O=C(O)C(C(=O)O)C | InChi: | InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) | 定義日: | 1999-08-26 | 最終更新日: | 2024-09-27 | 識別子(ID): | methylpropanedioic acid |
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 | 22W | 表記: | 2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one | 組成式: | C9 H12 N2 O2 S | SMILES: | S=C=C1/N=C(OC1=O)C(N)C(C)CC | InChi: | InChI=1S/C9H12N2O2S/c1-3-5(2)7(10)8-11-6(4-14)9(12)13-8/h5,7H,3,10H2,1-2H3/t5-,7-/m0/s1 | 定義日: | 2014-03-12 | 最終更新日: | 2024-09-27 | 公開日: | 2015-05-20 | 識別子(ID): | 2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one |
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 | DYA | 表記: | DIDEHYDROASPARTATE | 組成式: | C4 H5 N O4 | SMILES: | NC(=CC(O)=O)C(O)=O | InChi: | InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1- | 定義日: | 2015-04-24 | 最終更新日: | 2024-09-27 | 公開日: | 2016-04-13 | 識別子(ID): | (Z)-2-azanylbut-2-enedioic acid |
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 | DYF | 表記: | [(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate | 組成式: | C19 H36 N3 O8 P | SMILES: | CCCCCC=CC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | InChi: | InChI=1S/C19H36N3O8P/c1-4-5-6-7-8-9-15(23)20-12-13-21-16(24)10-11-22-18(26)17(25)19(2,3)14-30-31(27,28)29/h8-9,17,25H,4-7,10-14H2,1-3H3,(H,20,23)(H,21,24)(H,22,26)(H2,27,28,29)/b9-8+/t17-/m0/s1 | 定義日: | 2019-09-19 | 最終更新日: | 2024-09-27 | 公開日: | 2020-05-06 | 識別子(ID): | [(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate |
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 | DYG | 表記: | (3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-2-yl]propanoic acid | 組成式: | C15 H15 N3 O6 | SMILES: | O=C(O)CC(N)C1=N/C(C(=O)N1CC(=O)O)=Cc2ccc(O)cc2 | InChi: | InChI=1S/C15H15N3O6/c16-10(6-12(20)21)14-17-11(15(24)18(14)7-13(22)23)5-8-1-3-9(19)4-2-8/h1-5,10,19H,6-7,16H2,(H,20,21)(H,22,23)/b11-5-/t10-/m0/s1 | 別名: | CHROMOPHORE (ASP-TYR-GLY) | 定義日: | 2004-10-25 | 最終更新日: | 2024-09-27 | 識別子(ID): | (3S)-3-amino-3-{(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}propanoic acid |
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 | DYJ | 表記: | 1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline | 組成式: | C10 H13 N O5 | SMILES: | O=C(C1N(/C(C)=C/C(C(=O)O)=O)CCC1)O | InChi: | InChI=1S/C10H13NO5/c1-6(5-8(12)10(15)16)11-4-2-3-7(11)9(13)14/h5,7H,2-4H2,1H3,(H,13,14)(H,15,16)/b6-5+/t7-/m0/s1 | 定義日: | 2017-11-16 | 最終更新日: | 2024-09-27 | 公開日: | 2017-11-22 | 識別子(ID): | 1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline |
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 | 23F | 表記: | (2Z)-2-AMINO-3-PHENYLACRYLIC ACID | 組成式: | C9 H9 N O2 | SMILES: | O=C(O)C(/N)=C/c1ccccc1 | InChi: | InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)/b8-6- | 別名: | DEHYDROPHENYLALANINE | 定義日: | 2005-10-17 | 最終更新日: | 2024-09-27 | 識別子(ID): | (2Z)-2-amino-3-phenylprop-2-enoic acid |
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 | DYL | 表記: | (2R)-2-aminopent-4-enoic acid | 組成式: | C5 H9 N O2 | SMILES: | O=C(O)C(N)C/C=C | InChi: | InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m1/s1 | 定義日: | 2013-12-20 | 最終更新日: | 2024-09-27 | 公開日: | 2015-01-21 | 識別子(ID): | (2R)-2-aminopent-4-enoic acid |
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 | DYS | 表記: | S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine | 組成式: | C11 H16 N2 O4 S | SMILES: | O=C(O)C(N)CSc1cc(cc(O)c1O)CCN | InChi: | InChI=1S/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)/t7-/m0/s1 | 定義日: | 2007-10-08 | 最終更新日: | 2024-09-27 | 識別子(ID): | S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine |
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 | 23P | 表記: | 3-(propanoylamino)-L-alanine | 組成式: | C6 H12 N2 O3 | SMILES: | O=C(NCC(N)C(=O)O)CC | InChi: | InChI=1S/C6H12N2O3/c1-2-5(9)8-3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 | 定義日: | 2012-12-12 | 最終更新日: | 2024-09-27 | 公開日: | 2013-08-14 | 識別子(ID): | 3-(propanoylamino)-L-alanine |
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 | DYW | 表記: | (2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid | 組成式: | C9 H14 N2 O5 | SMILES: | N[CH](CC(O)=O)C(=O)N1CCC[CH]1C(O)=O | InChi: | InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)/t5-,6-/m0/s1 | 定義日: | 2018-02-05 | 最終更新日: | 2024-09-27 | 公開日: | 2018-08-08 | 識別子(ID): | (2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid |
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 | 23S | 表記: | (S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID | 組成式: | C9 H10 N2 O2 Se | SMILES: | O=C(O)C(N)Cc2c1cc[se]c1nc2 | InChi: | InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1 | 定義日: | 2004-01-02 | 最終更新日: | 2024-09-27 | 識別子(ID): | 3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine |
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 | MWU | 表記: | ~{N}-pyridin-2-ylprop-2-enamide | 組成式: | C8 H8 N2 O | SMILES: | C=CC(=O)Nc1ccccn1 | InChi: | InChI=1S/C8H8N2O/c1-2-8(11)10-7-5-3-4-6-9-7/h2-6H,1H2,(H,9,10,11) | 定義日: | 2023-01-05 | 最終更新日: | 2024-09-27 | 公開日: | 2023-12-13 | 識別子(ID): | ~{N}-pyridin-2-ylprop-2-enamide |
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 | MX1 | 表記: | (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO
XYLIC ACID | 組成式: | C18 H18 N2 O10 | SMILES: | O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C(=O)O)C2N=C(C(=C)CO2)C(=O)O | InChi: | InChI=1S/C18H18N2O10/c1-8-7-30-16(19-12(8)15(25)26)18(29-2,17(27)28)20-13(22)11(14(23)24)9-3-5-10(21)6-4-9/h3-6,11,16,21H,1,7H2,2H3,(H,20,22)(H,23,24)(H,25,26)(H,27,28)/t11-,16-,18-/m1/s1 | 別名: | MOXALACTAM (HYDROLYZED) | 定義日: | 2005-09-06 | 最終更新日: | 2024-09-27 | 識別子(ID): | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid |
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 | 247 | 表記: | (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid | 組成式: | C9 H9 F2 N O3 | SMILES: | O=C(O)C(F)(F)C(N)c1ccc(O)cc1 | InChi: | InChI=1S/C9H9F2NO3/c10-9(11,8(14)15)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2,(H,14,15)/t7-/m1/s1 | 定義日: | 2007-09-14 | 最終更新日: | 2024-09-27 | 識別子(ID): | (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid |
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 | MX3 | 表記: | (1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID | 組成式: | C14 H19 N3 O4 | SMILES: | O=C(O)CN(N)C(=O)CCC(=O)N(Cc1ccccc1)C | InChi: | InChI=1S/C14H19N3O4/c1-16(9-11-5-3-2-4-6-11)12(18)7-8-13(19)17(15)10-14(20)21/h2-6H,7-10,15H2,1H3,(H,20,21) | 別名: | AZA-ASPARTATE-N-BENZYL-N-METHYL-ACRYLAMIDE | 定義日: | 2005-09-29 | 最終更新日: | 2024-09-27 | 識別子(ID): | (1-{4-[benzyl(methyl)amino]-4-oxobutanoyl}hydrazino)acetic acid |
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 | MX4 | 表記: | {1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | 組成式: | C13 H16 N2 O5 | SMILES: | O=C(O)CN(N)C(=O)CCC(=O)OCc1ccccc1 | InChi: | InChI=1S/C13H16N2O5/c14-15(8-12(17)18)11(16)6-7-13(19)20-9-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,17,18) | 定義日: | 2005-09-29 | 最終更新日: | 2024-09-27 | 識別子(ID): | {1-[4-(benzyloxy)-4-oxobutanoyl]hydrazino}acetic acid |
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 | MX5 | 表記: | {1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | 組成式: | C15 H19 N3 O4 | SMILES: | O=C(O)CN(N)C(=O)CCC(=O)N2c1ccccc1CCC2 | InChi: | InChI=1S/C15H19N3O4/c16-18(10-15(21)22)14(20)8-7-13(19)17-9-3-5-11-4-1-2-6-12(11)17/h1-2,4,6H,3,5,7-10,16H2,(H,21,22) | 別名: | {N-[(E)-4-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)-4-OXO-BUT-2-ENOYL]-HYDRAZINO}-ACETIC ACID | 定義日: | 2005-10-02 | 最終更新日: | 2024-09-27 | 識別子(ID): | {1-[4-(3,4-dihydroquinolin-1(2H)-yl)-4-oxobutanoyl]hydrazino}acetic acid |
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 | MX9 | 表記: | (3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate | 組成式: | C17 H15 N O4 | SMILES: | Cc1cccc(c1)COC(=O)c1cccc2c1NC(=O)C2O | InChi: | InChI=1S/C17H15NO4/c1-10-4-2-5-11(8-10)9-22-17(21)13-7-3-6-12-14(13)18-16(20)15(12)19/h2-8,15,19H,9H2,1H3,(H,18,20)/t15-/m1/s1 | 定義日: | 2023-08-16 | 最終更新日: | 2024-09-27 | 公開日: | 2023-11-08 | 識別子(ID): | (3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate |
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 | MXC | 表記: | (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid | 組成式: | C16 H18 N4 O8 S | SMILES: | O=C(OCC(S(=O)O)(C)C(C(=O)O)Nc2c(cc1cc(ccn12)C(=O)N)C=O)N | InChi: | InChI=1S/C16H18N4O8S/c1-16(29(26)27,7-28-15(18)25)11(14(23)24)19-13-9(6-21)5-10-4-8(12(17)22)2-3-20(10)13/h2-6,11,19H,7H2,1H3,(H2,17,22)(H2,18,25)(H,23,24)(H,26,27)/t11-,16-/m0/s1 | 定義日: | 2009-01-28 | 最終更新日: | 2024-09-27 | 識別子(ID): | (3R)-N-(7-carbamoyl-2-formylindolizin-3-yl)-4-(carbamoyloxy)-3-sulfino-D-valine |
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 | 24M | 表記: | (1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid | 組成式: | C12 H23 N O3 | SMILES: | O=C(O)C1CCCC1C(O)C(N)CC(C)C | InChi: | InChI=1S/C12H23NO3/c1-7(2)6-10(13)11(14)8-4-3-5-9(8)12(15)16/h7-11,14H,3-6,13H2,1-2H3,(H,15,16)/t8-,9-,10+,11+/m1/s1 | 定義日: | 2011-02-15 | 最終更新日: | 2024-09-27 | 識別子(ID): | (1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid |
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 | MXF | 表記: | (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid | 組成式: | C17 H22 N4 O7 S | SMILES: | O=C(O)C(Nc2c(cc1ccccn12)C=O)C(S(=O)O)(C)COC(=O)NCCN | InChi: | InChI=1S/C17H22N4O7S/c1-17(29(26)27,10-28-16(25)19-6-5-18)13(15(23)24)20-14-11(9-22)8-12-4-2-3-7-21(12)14/h2-4,7-9,13,20H,5-6,10,18H2,1H3,(H,19,25)(H,23,24)(H,26,27)/t13-,17-/m0/s1 | 別名: | penam sulfone SA3-53, open form | 定義日: | 2009-01-28 | 最終更新日: | 2024-09-27 | 識別子(ID): | (3R)-4-{[(2-aminoethyl)carbamoyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine |
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