 | | VRP | | 表記: | Myriocin | | 組成式: | C21 H39 N O6 | | SMILES: | C(CCCCC=CCC(C(O)C(CO)(N)C(O)=O)O)CC(CCCCCC)=O | | InChi: | InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1 | | 別名: | (2S,3R,4R,6E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid | | 定義日: | 2020-09-11 | | 最終更新日: | 2021-03-13 | | 公開日: | 2021-02-24 | | 識別子（ID）: | (2S,3R,4R,6E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid |
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 | | VSD | | 表記: | 3-Dehydrosphinganine | | 組成式: | C18 H37 N O2 | | SMILES: | C(C(C(N)CO)=O)CCCCCCCCCCCCCC | | InChi: | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1 | | 別名: | (2S,6E)-2-amino-1-hydroxyoctadec-6-en-3-one | | 定義日: | 2020-09-11 | | 最終更新日: | 2021-03-13 | | 公開日: | 2021-02-24 | | 識別子（ID）: | (2S)-2-amino-1-hydroxyoctadecan-3-one |
|
 | | ANR | | 表記: | ANHYDRORETINOL | | 組成式: | C20 H28 | | SMILES: | C(=C1/C(=CCCC1(C)C)C)C=C(C=CC=C(C=C)C)C | | InChi: | InChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-14H,1,9,15H2,2-6H3/b11-8+,16-10+,17-13+,19-14- | | 別名: | (6E)-6-[(2E,4E,6E)-3,7-DIMETHYLNONA-2,4,6,8-TETRAENYLIDENE]-1,5,5-TRIMETHYLCYCLOHEXENE | | 定義日: | 2004-08-31 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (6E)-6-[(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ylidene]-1,5,5-trimethylcyclohexene |
|
 | | AO7 | | 表記: | 4-oxo-4H-1-benzopyran-2-carboxylic acid | | 組成式: | C10 H6 O4 | | SMILES: | C(=O)(O)C2=CC(c1ccccc1O2)=O | | InChi: | InChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13) | | 別名: | 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPOXY)-,(1A,2A,3B,5Z,7E) | | 定義日: | 2017-07-20 | | 最終更新日: | 2021-03-13 | | 公開日: | 2018-09-19 | | 識別子（ID）: | 4-oxo-4H-1-benzopyran-2-carboxylic acid |
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 | | AOI | | 表記: | Androsterone | | 組成式: | C19 H30 O2 | | SMILES: | O=C2C1(CCC3C(C1CC2)CCC4C3(CCC(O)C4)C)C | | InChi: | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1 | | 別名: | (3alpha,5beta,8alpha,10alpha,13alpha,14beta)-3-hydroxyandrostan-17-one | | 定義日: | 2013-06-25 | | 最終更新日: | 2021-03-13 | | 公開日: | 2013-07-03 | | 識別子（ID）: | (3alpha,5beta,8alpha,10alpha,13alpha,14beta)-3-hydroxyandrostan-17-one |
|
 | | AP4 | | 表記: | 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE | | 組成式: | C8 H9 N5 O3 | | SMILES: | O=C1C3=C(N=C(N)N1)NCC2N3C(=O)OC2 | | InChi: | InChI=1S/C8H9N5O3/c9-7-11-5-4(6(14)12-7)13-3(1-10-5)2-16-8(13)15/h3H,1-2H2,(H4,9,10,11,12,14)/t3-/m1/s1 | | 別名: | 5,6-CYCLIC-TETRAHYDROPTERIDINE | | 定義日: | 1999-12-16 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (6aR)-3-amino-5,6,6a,7-tetrahydro[1,3]oxazolo[3,4-f]pteridine-1,9(2H)-dione |
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 | | APC | | 表記: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | | 組成式: | C11 H18 N5 O12 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1 | | 別名: | ALPHA,BETA-METHYLENEADENOSINE-5'-TRIPHOSPHATE | | 定義日: | 1999-07-08 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine |
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 | | AQD | | 表記: | Nemonapride | | 組成式: | C21 H26 Cl N3 O2 | | SMILES: | COc1c(cc(c(c1)NC)Cl)C(=O)NC2CCN(C2C)Cc3ccccc3 | | InChi: | InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m1/s1 | | 別名: | N-[(2R,3R)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide | | 定義日: | 2017-07-21 | | 最終更新日: | 2021-03-13 | | 公開日: | 2017-10-18 | | 識別子（ID）: | N-[(2R,3R)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide |
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 | | AR9 | | 表記: | (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide | | 組成式: | C24 H45 N3 O4 | | SMILES: | O=C(NCCCC)C(C)CC(O)C1NC(=O)C(NC(=O)CCCCCCCC(C)C1)C | | InChi: | InChI=1S/C24H45N3O4/c1-5-6-14-25-23(30)18(3)16-21(28)20-15-17(2)12-10-8-7-9-11-13-22(29)26-19(4)24(31)27-20/h17-21,28H,5-16H2,1-4H3,(H,25,30)(H,26,29)(H,27,31)/t17-,18-,19+,20+,21+/m1/s1 | | 別名: | (2R,4S)-N-Butyl-4-((2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4diaza-cyclopentadec-5-yl)-4-hydroxy-2-methyl-butyramide | | 定義日: | 2008-07-21 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide |
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 | | ARZ | | 表記: | (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide | | 組成式: | C13 H18 N4 O3 S2 | | SMILES: | O=S(=O)(c1nnc(s1)NC(=O)C24CC3CC(C2)CC(C3)C4)N | | InChi: | InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13- | | 別名: | 5-(1-adamantylcarboxamido)-1,3,4-thiadiazole-2-sulfonamide | | 定義日: | 2010-04-13 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide |
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 | | AS4 | | 表記: | ALDOSTERONE | | 組成式: | C21 H28 O5 | | SMILES: | O=C(CO)C3C2(C=O)CC(O)C4C1(C(=CC(=O)CC1)CCC4C2CC3)C | | InChi: | InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 | | 別名: | (11BETA)-11,21-DIHYDROXY-3,20-DIOXOPREGN-4-EN-18-AL | | 定義日: | 2005-07-14 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (11alpha,14beta,17alpha)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al |
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 | | ASS | | 表記: | (E)-N-methyl-N-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-1-en-1-amine | | 組成式: | C29 H39 N3 O | | SMILES: | CC=CN(C)Cc1cc2cc(OCCCC3CCN(CC3)Cc4ccccc4)ccc2n1C | | InChi: | InChI=1S/C29H39N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h4-7,9-10,12-13,16,20-21,24H,8,11,14-15,17-19,22-23H2,1-3H3/b16-4+ | | 別名: | ASS234, bound form | | 定義日: | 2014-03-03 | | 最終更新日: | 2021-03-13 | | 公開日: | 2014-04-02 | | 識別子（ID）: | (E)-N-methyl-N-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-1-en-1-amine |
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 | | ATX | | 表記: | (2S)-2-AMINO-1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)PROPAN-1-ONE | | 組成式: | C9 H15 N3 O2 | | SMILES: | O=C(c1nnc(o1)C(C)(C)C)C(N)C | | InChi: | InChI=1S/C9H15N3O2/c1-5(10)6(13)7-11-12-8(14-7)9(2,3)4/h5H,10H2,1-4H3/t5-/m0/s1 | | 別名: | 2-ALANYL-5-TERT-BUTYL-[1,3,4]-OXADIAZOLE | | 定義日: | 2005-04-25 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one |
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 | | AU1 | | 表記: | 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine | | 組成式: | C10 H16 N6 O9 P2 | | SMILES: | O=P(O)(O)NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H16N6O9P2/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(25-10)1-24-27(22,23)15-26(19,20)21/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1 | | 別名: | Adenosine 5-(alpha,beta-imido)diphosphate | | 定義日: | 2013-05-03 | | 最終更新日: | 2021-03-13 | | 公開日: | 2013-07-17 | | 識別子（ID）: | 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine |
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 | | AV9 | | 表記: | TIVOZANIB | | 組成式: | C22 H19 Cl N4 O5 | | SMILES: | O=C(N=C1/C=C(ON1)C)Nc4ccc(Oc2c3cc(OC)c(OC)cc3ncc2)cc4Cl | | InChi: | InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28) | | 別名: | 1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-[(3E)-5-methylisoxazol-3(2H)-ylidene]urea | | 定義日: | 2012-04-30 | | 最終更新日: | 2021-03-13 | | 公開日: | 2012-09-21 | | 識別子（ID）: | 1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-[(3E)-5-methylisoxazol-3(2H)-ylidene]urea |
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 | | AVW | | 表記: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | | 組成式: | C15 H22 F N5 O12 P2 | | SMILES: | FC1C(O)C(OC1)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | | InChi: | InChI=1S/C15H22FN5O12P2/c16-6-1-29-7(10(6)22)2-30-34(25,26)33-35(27,28)31-3-8-11(23)12(24)15(32-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-24H,1-3H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-,7+,8+,10-,11+,12+,15+/m0/s1 | | 別名: | ribosyl-2-fluoro-deoxy-adenosine diphosphate ribose | | 定義日: | 2009-07-14 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | AYH | | 表記: | (1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide | | 組成式: | C29 H47 N3 O4 | | SMILES: | CCCCNC(=O)[CH](C)C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH]2CCC[CH](C2)C(C)(C)NC(C)=O | | InChi: | InChI=1S/C29H47N3O4/c1-6-7-16-30-27(35)20(2)17-26(34)25(18-22-12-9-8-10-13-22)31-28(36)23-14-11-15-24(19-23)29(4,5)32-21(3)33/h8-10,12-13,20,23-26,34H,6-7,11,14-19H2,1-5H3,(H,30,35)(H,31,36)(H,32,33)/t20-,23-,24+,25+,26+/m1/s1 | | 別名: | (1R,3S)-3-(1-Acetylamino-1-methyl-ethyl)-cyclohexanecarboxylic acid ((1S,2S,4R)-1-benzyl-4-butylcarbamoyl-2-hydroxy-pentyl)-amide | | 定義日: | 2009-12-11 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (1R,3S)-3-(2-acetamidopropan-2-yl)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenyl-hexan-2-yl]cyclohexane-1-carboxamide |
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 | | AZ8 | | 表記: | pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione | | 組成式: | C5 H3 N5 O2 | | SMILES: | c12c(ncnn1)C(=O)NC(=O)N2 | | InChi: | InChI=1S/C5H3N5O2/c11-4-2-3(8-5(12)9-4)10-7-1-6-2/h1H,(H2,8,9,10,11,12) | | 別名: | 1,6-didemethyltoxoflavin | | 定義日: | 2016-04-18 | | 最終更新日: | 2021-03-13 | | 公開日: | 2016-05-04 | | 識別子（ID）: | pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione |
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 | | AZR | | 表記: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid | | 組成式: | C13 H19 N5 O8 S2 | | SMILES: | O=S(=O)(O)NC(C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c1nc(sc1)N | | InChi: | InChI=1S/C13H19N5O8S2/c1-6(18-28(23,24)25)7(4-19)15-10(20)9(8-5-27-12(14)16-8)17-26-13(2,3)11(21)22/h4-7,18H,1-3H3,(H2,14,16)(H,15,20)(H,21,22)(H,23,24,25)/b17-9-/t6-,7+/m0/s1 | | 別名: | AZTREONAM, open form | | 定義日: | 2000-09-12 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid |
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 | | W7E | | 表記: | 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid | | 組成式: | C24 H26 N4 O7 S | | SMILES: | O=C(O)C(C(=O)O)Cc3ccc(OCCNC(=O)NCCC(=O)Nc1ccc2nc(sc2c1)C)cc3 | | InChi: | InChI=1S/C24H26N4O7S/c1-14-27-19-7-4-16(13-20(19)36-14)28-21(29)8-9-25-24(34)26-10-11-35-17-5-2-15(3-6-17)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34) | | 別名: | 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxo-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid | | 定義日: | 2012-03-01 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (4-{2-[({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}carbamoyl)amino]ethoxy}benzyl)propanedioic acid |
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 | | B08 | | 表記: | (1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | | 組成式: | C20 H20 O7 P2 | | SMILES: | O=P(O)(O)C(O)(P(=O)(O)O)Cc1cccc(c1)c3cccc(c2ccccc2)c3 | | InChi: | InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-6-4-9-17(12-15)19-11-5-10-18(13-19)16-7-2-1-3-8-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27) | | 別名: | [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YL)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | | 定義日: | 2007-01-30 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | [1-hydroxy-2-(1,1':3',1''-terphenyl-3-yl)ethane-1,1-diyl]bis(phosphonic acid) |
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 | | SXC | | 表記: | bromo(4-{3-[(R)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappaS)methyl]phenyl-kappaC~1~)palladium(2+) | | 組成式: | C21 H27 Br N O5 P Pd S2 | | SMILES: | [O-][N+](=O)c4ccc(OP(=O)(OCC)CCCc1cc2c3c(c1)C[S+](C)[Pd]3(Br)[S+](C2)C)cc4 | | InChi: | InChI=1S/C21H27NO5PS2.BrH.Pd/c1-4-26-28(25,27-21-9-7-20(8-10-21)22(23)24)11-5-6-17-12-18(15-29-2)14-19(13-17)16-30-3 | | 別名: | ethyl 4-nitrophenyl P-[3-(4-(bromopallado)-1,3-bis[(methylthio)methyl]-phenyl)propyl]phosphonate | | 定義日: | 2008-10-08 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | bromo(4-{3-[(R)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappaS)methyl]phenyl-kappaC~1~)palladium(2+) |
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 | | B20 | | 表記: | 1,2-dihydro-1,2-azaborinine | | 組成式: | C4 H6 B N | | SMILES: | B1C=CC=CN1 | | InChi: | InChI=1S/C4H6BN/c1-2-4-6-5-3-1/h1-6H | | 別名: | 1,2-DIHYDRO-1,2-AZABORINE | | 定義日: | 2009-05-21 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 1,2-dihydro-1,2-azaborinine |
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 | | B24 | | 表記: | 1-ethyl-1,2-dihydro-1,2-azaborinine | | 組成式: | C6 H10 B N | | SMILES: | B1C=CC=CN1CC | | InChi: | InChI=1S/C6H10BN/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 | | 別名: | 1-ETHYL-2-HYDRO-1,2-AZABORINE | | 定義日: | 2009-05-21 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 1-ethyl-1,2-dihydro-1,2-azaborinine |
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 | | SXM | | 表記: | 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid | | 組成式: | C14 H25 N2 O10 P S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CC(=O)O | | InChi: | InChI=1S/C14H25N2O10PS/c1-14(2,8-26-27(23,24)25)12(21)13(22)16-4-3-9(17)15-5-6-28-11(20)7-10(18)19/h12,21H,3-8H2,1-2H3,(H,15,17)(H,16,22)(H,18,19)(H2,23,24,25)/t12-/m1/s1 | | 別名: | THIOMALONIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER | | 定義日: | 2009-03-30 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid |
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