 | | 7JH | | 表記: | 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one | | 組成式: | C13 H11 N3 O2 S | | SMILES: | Cc1sc(c(C)n1)c2cc(O)c3N=CNC(=O)c3c2 | | InChi: | InChI=1S/C13H11N3O2S/c1-6-12(19-7(2)16-6)8-3-9-11(10(17)4-8)14-5-15-13(9)18/h3-5,17H,1-2H3,(H,14,15,18) | | 別名: | 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-hydroxy-3H-quinazolin-4-one | | 定義日: | 2016-11-02 | | 最終更新日: | 2021-03-13 | | 公開日: | 2017-11-22 | | 識別子（ID）: | 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one |
|
 | | 7KZ | | 表記: | N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine | | 組成式: | C22 H35 N5 O2 | | SMILES: | C(CCCC)CNc3nc(NC1CCN(C)CC1)c2cc(c(OC)cc2n3)OC | | InChi: | InChI=1S/C22H35N5O2/c1-5-6-7-8-11-23-22-25-18-15-20(29-4)19(28-3)14-17(18)21(26-22)24-16-9-12-27(2)13-10-16/h14-16H,5-13H2,1-4H3,(H2,23,24,25,26) | | 別名: | N~2~-hexyl-6,7-dimethoxy-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine | | 定義日: | 2016-11-07 | | 最終更新日: | 2021-03-13 | | 公開日: | 2016-12-21 | | 識別子（ID）: | N~2~-hexyl-6,7-dimethoxy-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine |
|
 | | AH1 | | 表記: | AHA001 | | 組成式: | C33 H34 N2 O5 | | SMILES: | O=C1N(C(C(O)C(O)C(N1Cc2ccccc2)COc3ccccc3)COc4ccccc4)Cc5ccccc5 | | InChi: | InChI=1S/C33H34N2O5/c36-31-29(23-39-27-17-9-3-10-18-27)34(21-25-13-5-1-6-14-25)33(38)35(22-26-15-7-2-8-16-26)30(32(31)37)24-40-28-19-11-4-12-20-28/h1-20,29-32,36-37H,21-24H2/t29-,30-,31+,32+/m1/s1 | | 別名: | (4R,5S, 6S, 7R)-1,3-DIBENZYL-4,7-BIS(PHENOXYMETHYL)-5,6-DIHYDROXY-1,3 DIAZEPAN-2-ONE | | 定義日: | 1999-07-08 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one |
|
 | | AJI | | 表記: | 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide | | 組成式: | C19 H15 F N6 O S3 | | SMILES: | O=C(Nc1nc(cs1)C)c4nc(Sc2nncn2C)ccc4Sc3ccc(F)cc3 | | InChi: | InChI=1S/C19H15FN6OS3/c1-11-9-28-18(22-11)24-17(27)16-14(29-13-5-3-12(20)4-6-13)7-8-15(23-16)30-19-25-21-10-26(19)2/h3-10H,1-2H3,(H,22,24,27) | | 別名: | 3-[(4-fluorophenyl)thio]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]pyridine-2-carboxamide | | 定義日: | 2009-03-24 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide |
|
 | | AJN | | 表記: | Ajmalicine | | 組成式: | C21 H24 N2 O3 | | SMILES: | O=C(OC)C4=COC(C5CN3CCc1c(nc2ccccc12)C3CC45)C | | InChi: | InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1 | | 別名: | methyl (19alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate | | 定義日: | 2014-10-15 | | 最終更新日: | 2021-03-13 | | 公開日: | 2015-01-14 | | 識別子（ID）: | methyl (19alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate |
|
 | | AKC | | 表記: | 2-ETHOXYETHYL (1S,2S)-3-{(2S)-4-[(3AS,8S,8AR)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D][1,3]OXAZOL-8-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | | 組成式: | C36 H39 N3 O7 | | SMILES: | O=C(OCCOCC)NC(Cc1ccccc1)C(O)CC2(NC=C(C2=O)C4c3c(cccc3)C5NC(=O)OC45)Cc6ccccc6 | | InChi: | InChI=1S/C36H39N3O7/c1-2-44-17-18-45-34(42)38-28(19-23-11-5-3-6-12-23)29(40)21-36(20-24-13-7-4-8-14-24)33(41)27(22-37-36)30-25-15-9-10-16-26(25)31-32(30)46-35(43)39-31/h3-16,22,28-32,37,40H,2,17-21H2,1H3,(H,38,42)(H,39,43)/t28-,29-,30+,31+,32-,36-/m0/s1 | | 別名: | 2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | | 定義日: | 2005-10-19 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 2-ethoxyethyl [(1S,2S)-1-benzyl-3-{(2S)-2-benzyl-3-oxo-4-[(3aR,8R,8aS)-2-oxo-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazol-8-yl]-2,3-dihydro-1H-pyrrol-2-yl}-2-hydroxypropyl]carbamate |
|
 | | 012 | | 表記: | (4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide | | 組成式: | C31 H39 N5 O4 | | SMILES: | O=C3NC(C(=O)NC(Cc1ccccc1)C(O)CNCc2cccc(N(C)C)c2)CN3Cc4cc(OC)ccc4 | | InChi: | InChI=1S/C31H39N5O4/c1-35(2)25-13-7-11-23(15-25)18-32-19-29(37)27(17-22-9-5-4-6-10-22)33-30(38)28-21-36(31(39)34-28)20-24-12-8-14-26(16-24)40-3/h4-16,27-29,32,37H,17-21H2,1-3H3,(H,33,38)(H,34,39)/t27-,28-,29+/m0/s1 | | 別名: | (S)-1-(3-methoxy-benzyl)-2-oxo-imidazolidine-4-carboxylic acid[(1S,2R)-1-benzyl-3-(3-dimethylamino-benzylamino)-2-hydroxy-propyl]-amide | | 定義日: | 2008-03-17 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide |
|
 | | AKM | | 表記: | [(2R,4S,6R)-4-azanyl-4,6-dimethyl-5,5-bis(oxidanyl)oxan-2-yl] [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | | 組成式: | C17 H29 N3 O14 P2 | | SMILES: | O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)(O)C(N)(C3)C)C)O)O)C | | InChi: | InChI=1S/C17H29N3O14P2/c1-8-6-20(15(23)19-14(8)22)12-4-10(21)11(32-12)7-30-35(26,27)34-36(28,29)33-13-5-16(3,18)17(24,25)9(2)31-13/h6,9-13,21,24-25H,4-5,7,18H2,1-3H3,(H,26,27)(H,28,29)(H,19,22,23)/t9-,10+,11-,12-,13-,16+/m1/s1 | | 別名: | dTDP-3-amino-2,3,6-trideoxy-4-keto-3-methyl-D-glucose (hydrated at C4) | | 定義日: | 2013-04-29 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (2R,4S,6R)-4-amino-5,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
|
 | | AKX | | 表記: | (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol | | 組成式: | C39 H52 O3 | | SMILES: | C[CH](CCCC(O)(Cc1ccccc1)Cc2ccccc2)[CH]3CC[CH]4C(CCC[C]34C)=CC=C5C[CH](O)C(=C)[CH](O)C5 | | InChi: | InChI=1S/C39H52O3/c1-28(12-10-23-39(42,26-30-13-6-4-7-14-30)27-31-15-8-5-9-16-31)34-20-21-35-33(17-11-22-38(34,35)3)19-18-32-24-36(40)29(2)37(41)25-32/h4-9,13-16,18-19,28,34-37,40-42H,2,10-12,17,20-27H2,1,3H3/b33-19+/t28-,34-,35+,36-,37-,38-/m1/s1 | | 別名: | 2-methylidene-26,27-diphenyl-19-nor-1,25-dihydroxy vitamin D3 | | 定義日: | 2016-05-11 | | 最終更新日: | 2021-03-13 | | 公開日: | 2016-06-29 | | 識別子（ID）: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol |
|
 | | ALI | | 表記: | METHYL N-ACETYL ALLOSAMINE | | 組成式: | C8 H12 N2 O4 | | SMILES: | N1=C(N=C)OC2C1C(O)C(O)C2CO | | InChi: | InChI=1S/C8H12N2O4/c1-9-8-10-4-6(13)5(12)3(2-11)7(4)14-8/h3-7,11-13H,1-2H2/t3-,4-,5-,6-,7+/m1/s1 | | 別名: | (4R,5R,6R)-6-(HYDROXYMETHYL)-2-(METHYLENEAMINO)-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA[D][1,3]OXAZOLE-4,5-DIOL | | 定義日: | 2003-03-10 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (3aR,4R,5R,6R,6aS)-6-(hydroxymethyl)-2-(methylideneamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol |
|
 | | ALJ | | 表記: | CYCLO-(L-ARGININE-L-PROLINE) INHIBITOR | | 組成式: | C11 H19 N5 O2 | | SMILES: | O=C1N2C(C(=O)NC1CCC/N=C(N)N)CCC2 | | InChi: | InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1 | | 別名: | N''-{3-[(3S,8AR)-1,4-DIOXOOCTAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL]PROPYL}GUANIDINE | | 定義日: | 2004-06-24 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 2-{3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}guanidine |
|
 | | ANH | | 表記: | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | | 組成式: | C20 H24 N4 O5 S | | SMILES: | O=S(=O)(c1ccc(cc1)C)NCC(=O)NC(C(=O)OC)Cc2cc(ccc2)C(=[N@H])N | | InChi: | InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)/t17-/m0/s1 | | 別名: | NALPHA-(2-NAPHTHYLSULFONYLGLYCYL)-3-AMIDINO-D,L-PHENYLALANINE-ISOPROPYLESTER | | 定義日: | 2003-10-20 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | methyl N-[(4-methylphenyl)sulfonyl]glycyl-3-carbamimidoyl-L-phenylalaninate |
|
 | | 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 |
|
 | | 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 |
|
 | | 061 | | 表記: | 2-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-4-ONE | | 組成式: | C26 H24 N6 O2 | | SMILES: | O=C1c5cc(O)ccc5N=C(N1Cc4ccc(c2ccccc2c3nnnn3)cc4)CCCC | | InChi: | InChI=1S/C26H24N6O2/c1-2-3-8-24-27-23-14-13-19(33)15-22(23)26(34)32(24)16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25-28-30-31-29-25/h4-7,9-15,33H,2-3,8,16H2,1H3,(H,28,29,30,31) | | 別名: | L-159,061 | | 定義日: | 1999-07-08 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 2-butyl-6-hydroxy-3-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}quinazolin-4(3H)-one |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
