 | | 0Z0 | | 表記: | N-(trifluoroacetyl)-L-phenylalanyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide | | 組成式: | C21 H19 F6 N3 O3 | | SMILES: | O=C(Nc1ccc(cc1)C(F)(F)F)C(NC(=O)C(NC(=O)C(F)(F)F)Cc2ccccc2)C | | InChi: | InChI=1S/C21H19F6N3O3/c1-12(17(31)29-15-9-7-14(8-10-15)20(22,23)24)28-18(32)16(30-19(33)21(25,26)27)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,28,32)(H,29,31)(H,30,33)/t12-,16-/m0/s1 | | 別名: | TFAP | | 定義日: | 2008-07-30 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-(trifluoroacetyl)-L-phenylalanyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide |
|
 | | 0Z2 | | 表記: | N-(trifluoroacetyl)-L-leucyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide | | 組成式: | C18 H21 F6 N3 O3 | | SMILES: | O=C(Nc1ccc(cc1)C(F)(F)F)C(NC(=O)C(NC(=O)C(F)(F)F)CC(C)C)C | | InChi: | InChI=1S/C18H21F6N3O3/c1-9(2)8-13(27-16(30)18(22,23)24)15(29)25-10(3)14(28)26-12-6-4-11(5-7-12)17(19,20)21/h4-7,9-10,13H,8H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)/t10-,13-/m0/s1 | | 別名: | TFLA | | 定義日: | 2008-07-30 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-(trifluoroacetyl)-L-leucyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide |
|
 | | 958 | | 表記: | 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione | | 組成式: | C19 H21 N7 O3 | | SMILES: | CN(C)c1nc2N(C)C(=O)N(C)C(=O)c2n1Cc3oc(nn3)c4cccc(C)c4 | | InChi: | InChI=1S/C19H21N7O3/c1-11-7-6-8-12(9-11)16-22-21-13(29-16)10-26-14-15(20-18(26)23(2)3)24(4)19(28)25(5)17(14)27/h6-9H,10H2,1-5H3 | | 別名: | TH5427 | | 定義日: | 2017-04-21 | | 最終更新日: | 2021-03-01 | | 公開日: | 2018-01-31 | | 識別子（ID）: | 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione |
|
 | | 0ZI | | 表記: | amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium | | 組成式: | C25 H39 N6 O3 S | | SMILES: | O=C(N1CCC(CC)CC1)C(NS(=O)(=O)c3c2cccc(N(C)C)c2ccc3)CCCNC(=[NH2+])N | | InChi: | InChI=1S/C25H38N6O3S/c1-4-18-13-16-31(17-14-18)24(32)21(10-7-15-28-25(26)27)29-35(33,34)23-12-6-8-19-20(23)9-5-11-22(19)30(2)3/h5-6,8-9,11-12,18,21,29H,4,7,10,13-17H2,1-3H3,(H4,26,27,28)/p+1/t21-/m0/s1 | | 別名: | DAPA | | 定義日: | 2008-08-05 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium |
|
 | | 104 | | 表記: | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINE | | 組成式: | C6 H18 N4 | | SMILES: | NCCNCCNCCN | | InChi: | InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2 | | 別名: | TRIENTINE | | 定義日: | 1999-12-09 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N,N'-bis(2-aminoethyl)ethane-1,2-diamine |
|
 | | 105 | | 表記: | N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID | | 組成式: | C12 H12 B Cl N2 O4 | | SMILES: | Clc1ccccc1c2noc(c2C(=O)NCB(O)O)C | | InChi: | InChI=1S/C12H12BClN2O4/c1-7-10(12(17)15-6-13(18)19)11(16-20-7)8-4-2-3-5-9(8)14/h2-5,18-19H,6H2,1H3,(H,15,17) | | 別名: | CLOXACILLIN DERIVATIVE | | 定義日: | 2000-09-27 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | [({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)methyl]boronic acid |
|
 | | 10B | | 表記: | N-2-(biphenyl-4-ylsulfonyl)-N-2-(isopropyloxy)-acetohydroxamic acid | | 組成式: | C17 H20 N2 O5 S | | SMILES: | O=S(=O)(N(OC(C)C)CC(=O)NO)c2ccc(c1ccccc1)cc2 | | InChi: | InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20) | | 別名: | N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(propan-2-yloxy)glycinamide | | 定義日: | 2012-09-18 | | 最終更新日: | 2021-03-01 | | 公開日: | 2013-04-24 | | 識別子（ID）: | N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(propan-2-yloxy)glycinamide |
|
 | | 968 | | 表記: | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID | | 組成式: | C19 H13 N O6 | | SMILES: | O=C(O)c1ccccc1N(c2c3c(ccc2)ccc(O)c3)C(=O)C(=O)O | | InChi: | InChI=1S/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26) | | 別名: | COMPOUND 8B | | 定義日: | 2003-03-17 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 2-[(carboxycarbonyl)(7-hydroxynaphthalen-1-yl)amino]benzoic acid |
|
 | | 10T | | 表記: | 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid | | 組成式: | C19 H24 N2 O2 | | SMILES: | O=C(O)c1c(nc(c(c1c2ccc(cc2)C)CN)CC(C)C)C | | InChi: | InChI=1S/C19H24N2O2/c1-11(2)9-16-15(10-20)18(14-7-5-12(3)6-8-14)17(19(22)23)13(4)21-16/h5-8,11H,9-10,20H2,1-4H3,(H,22,23) | | 別名: | TAK-986 | | 定義日: | 2010-08-06 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid |
|
 | | 10U | | 表記: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide | | 組成式: | C20 H29 N5 O2 | | SMILES: | O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCC2)CCC3 | | InChi: | InChI=1S/C20H29N5O2/c21-19(22)15-9-7-14(8-10-15)12-24-20(27)17-6-3-11-25(17)18(26)13-23-16-4-1-2-5-16/h7-10,16-17,23H,1-6,11-13H2,(H3,21,22)(H,24,27)/t17-/m0/s1 | | 別名: | (2S)-1-[cyclopentylamino)acetyl-N-{4-[amino(imino)methyl]benzyl}pyrrolidine-2-carboxamide | | 定義日: | 2007-12-04 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-cyclopentylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide |
|
 | | 110 | | 表記: | 3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER | | 組成式: | C28 H38 N4 O7 S | | SMILES: | O=C(OCCCC)C(O)C(NC(=O)c1ccc2n1C(=O)CN(C2)S(=O)(=O)Cc3ccccc3)C4CCC(N)CC4 | | InChi: | InChI=1S/C28H38N4O7S/c1-2-3-15-39-28(36)26(34)25(20-9-11-21(29)12-10-20)30-27(35)23-14-13-22-16-31(17-24(33)32(22)23)40(37,38)18-19-7-5-4-6-8-19/h4-8,13-14,20-21,25-26,34H,2-3,9-12,15-18,29H2,1H3,(H,30,35)/t20-,21-,25-,26-/m0/s1 | | 別名: | BCH-10556 | | 定義日: | 2000-11-07 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | butyl (2S,3S)-3-(trans-4-aminocyclohexyl)-3-({[2-(benzylsulfonyl)-4-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]carbonyl}amino)-2-hydroxypropanoate |
|
 | | 974 | | 表記: | 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID | | 組成式: | C28 H27 F2 N6 O5 | | SMILES: | Fc4c(c(F)c(Oc1cc(C(=[N@H])N)ccc1O)[nH+]c4Oc3cc(c2nccn2C)ccc3)N5CC(C(=O)O)CCC5 | | InChi: | InChI=1S/C28H26F2N6O5/c1-35-11-9-33-25(35)16-4-2-6-18(12-16)40-26-21(29)23(36-10-3-5-17(14-36)28(38)39)22(30)27(34-26)41-20-13-15(24(31)32)7-8-19(20)37/h2,4,6-9,11-13,17,37H,3,5,10,14H2,1H3,(H3,31,32)(H,38,39)/p+1/t17-/m1/s1 | | 別名: | ZK-806974 | | 定義日: | 1999-07-08 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 2-(5-carbamimidoyl-2-hydroxyphenoxy)-4-[(3R)-3-carboxypiperidin-1-yl]-3,5-difluoro-6-[3-(1-methyl-1H-imidazol-2-yl)phenoxy]pyridinium |
|
 | | 11C | | 表記: | (2R)-2-aminohexanedioic acid | | 組成式: | C6 H11 N O4 | | SMILES: | O=C(O)C(N)CCCC(=O)O | | InChi: | InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m1/s1 | | 別名: | D-2-aminoadipate | | 定義日: | 2010-12-09 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2R)-2-aminohexanedioic acid |
|
 | | 979 | | 表記: | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE | | 組成式: | C24 H25 N5 O | | SMILES: | n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCN5CCNCC5 | | InChi: | InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28) | | 別名: | FURANOPYRIDIMIDINE 1 | | 定義日: | 2007-01-12 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 5,6-diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine |
|
 | | 11X | | 表記: | N-(pyridin-3-ylmethyl)aniline | | 組成式: | C12 H12 N2 | | SMILES: | n1cccc(c1)CNc2ccccc2 | | InChi: | InChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2 | | 別名: | PHENYL-PYRIDIN-3-YLMETHYL-AMINE | | 定義日: | 2008-09-18 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-(pyridin-3-ylmethyl)aniline |
|
 | | 98M | | 表記: | 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | | 組成式: | C27 H31 Cl N8 O2 | | SMILES: | c1(nc(ccc1)N2N(C(=O)c3c2nc(nc3)Nc5cc(Cl)c(N4CCN(CC4)C)cc5)CC=C)C(O)(C)C | | InChi: | InChI=1S/C27H31ClN8O2/c1-5-11-35-25(37)19-17-29-26(32-24(19)36(35)23-8-6-7-22(31-23)27(2,3)38)30-18-9-10-21(20(28)16-18)34-14-12-33(4)13-15-34/h5-10,16-17,38H,1,11-15H2,2-4H3,(H,29,30,32) | | 別名: | RAC-IV-099 | | 定義日: | 2017-04-09 | | 最終更新日: | 2021-03-01 | | 公開日: | 2018-04-04 | | 識別子（ID）: | 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
|
 | | 12P | | 表記: | DODECAETHYLENE GLYCOL | | 組成式: | C24 H50 O13 | | SMILES: | O(CCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C24H50O13/c25-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-24-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-26/h25-26H,1-24H2 | | 別名: | POLYETHYLENE GLYCOL PEG400 | | 定義日: | 2004-06-15 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontane-1,35-diol |
|
 | | 12U | | 表記: | N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide | | 組成式: | C22 H33 N5 O2 | | SMILES: | O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCCCC2)CCC3 | | InChi: | InChI=1S/C22H33N5O2/c23-21(24)17-11-9-16(10-12-17)14-26-22(29)19-8-5-13-27(19)20(28)15-25-18-6-3-1-2-4-7-18/h9-12,18-19,25H,1-8,13-15H2,(H3,23,24)(H,26,29)/t19-/m0/s1 | | 別名: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cycloheptylamino)ethanoyl]pyrrolidine-2-carboxamide | | 定義日: | 2008-01-15 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide |
|
 | | 12V | | 表記: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | | 組成式: | C17 H27 N3 O16 P2 S | | SMILES: | O=P(OC1SC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | | InChi: | InChI=1S/C17H27N3O16P2S/c1-6(22)18-10-13(26)12(25)8(4-21)39-16(10)35-38(31,32)36-37(29,30)33-5-7-11(24)14(27)15(34-7)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16+/m1/s1 | | 別名: | URIDINE DIPHOSPHO-5-THIO-N-ACETYLGLUCOSAMINE | | 定義日: | 2012-06-19 | | 最終更新日: | 2021-03-01 | | 公開日: | 2012-10-19 | | 識別子（ID）: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
|
 | | 991 | | 表記: | 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | | 組成式: | C20 H20 Cl N3 O2 | | SMILES: | [O-]c4c(OC1CCCC1)cccc4c3cc2cc(c(Cl)cc2n3)C(=[NH2+])N | | InChi: | InChI=1S/C20H20ClN3O2/c21-15-10-16-11(8-14(15)20(22)23)9-17(24-16)13-6-3-7-18(19(13)25)26-12-4-1-2-5-12/h3,6-10,12,24-25H,1-2,4-5H2,(H3,22,23) | | 別名: | CRA_10991 | | 定義日: | 2003-03-14 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 2-{5-[amino(iminio)methyl]-6-chloro-1H-indol-2-yl}-6-(cyclopentyloxy)phenolate |
|
 | | 99J | | 表記: | 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | | 組成式: | C26 H27 F3 N8 O2 | | SMILES: | c5c(Nc2ncc1C(=O)N(CC=C)N(c1n2)c3nc(ccc3)C(O)C(F)(F)F)ccc(N4CCN(C)CC4)c5 | | InChi: | InChI=1S/C26H27F3N8O2/c1-3-11-36-24(39)19-16-30-25(31-17-7-9-18(10-8-17)35-14-12-34(2)13-15-35)33-23(19)37(36)21-6-4-5-20(32-21)22(38)26(27,28)29/h3-10,16,22,38H,1,11-15H2,2H3,(H,30,31,33)/t22-/m0/s1 | | 別名: | RAC-IV-016 | | 定義日: | 2017-04-11 | | 最終更新日: | 2021-03-01 | | 公開日: | 2018-04-04 | | 識別子（ID）: | 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
|
 | | 13U | | 表記: | N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide | | 組成式: | C23 H35 N5 O2 | | SMILES: | O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCCCCC2)CCC3 | | InChi: | InChI=1S/C23H35N5O2/c24-22(25)18-12-10-17(11-13-18)15-27-23(30)20-9-6-14-28(20)21(29)16-26-19-7-4-2-1-3-5-8-19/h10-13,19-20,26H,1-9,14-16H2,(H3,24,25)(H,27,30)/t20-/m0/s1 | | 別名: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclooctylamino)ethanoyl]pyrrolidine-2-carboxamide | | 定義日: | 2008-02-06 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide |
|
 | | 140 | | 表記: | N-PALMITOYLGLYCINE | | 組成式: | C18 H35 N O3 | | SMILES: | O=C(NCC(=O)O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22) | | 別名: | N-HEXADECANOYLGLYCINE | | 定義日: | 2001-08-09 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-hexadecanoylglycine |
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 | | 146 | | 表記: | [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE] | | 組成式: | C49 H44 N8 O5 | | SMILES: | O=C(Nc1nc2ccccc2n1)c3cc(ccc3)CN5C(=O)N(C(Cc4ccccc4)C(O)C(O)C5Cc6ccccc6)Cc7cccc(c7)C(=O)Nc9nc8ccccc8n9 | | InChi: | InChI=1S/C49H44N8O5/c58-43-41(27-31-13-3-1-4-14-31)56(29-33-17-11-19-35(25-33)45(60)54-47-50-37-21-7-8-22-38(37)51-47)49(62)57(42(44(43)59)28-32-15-5-2-6-16-32)30-34-18-12-20-36(26-34)46(61)55-48-52-39-23-9-10-24-40(39)53-48/h1-26,41-44,58-59H,27-30H2,(H2,50,51,54,60)(H2,52,53,55,61)/t41-,42-,43+,44+/m1/s1 | | 別名: | SD146 | | 定義日: | 1999-07-08 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-1H-benzimidazol-2-ylbenzamide) |
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 | | 9B4 | | 表記: | (2R,5R,13R,16R)-9-(hydroxymethyl)-9-{[(2R)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol | | 組成式: | C20 H42 O9 | | SMILES: | CC(COCC(CO)(COCC(C)O)COCC(OCC(O)C)C)OCC(O)C | | InChi: | InChI=1S/C20H42O9/c1-15(22)6-25-12-20(11-21,13-26-9-18(4)28-7-16(2)23)14-27-10-19(5)29-8-17(3)24/h15-19,21-24H,6-14H2,1-5H3/t15-,16-,17-,18-,19-/m1/s1 | | 別名: | Pentaerythritol propoxylate (5/4 PO/OH) | | 定義日: | 2017-04-14 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-10-25 | | 識別子（ID）: | (2R,5R,13R,16R)-9-(hydroxymethyl)-9-{[(2R)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol |
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