 | | S71 | | 表記: | (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine | | 組成式: | C22 H28 N6 | | SMILES: | n1c(N)cc(cc1CCc2cc(cnc2)C(Cc3nc(N)cc(c3)C)CN)C | | InChi: | InChI=1S/C22H28N6/c1-14-5-19(27-21(24)7-14)4-3-16-9-18(13-26-12-16)17(11-23)10-20-6-15(2)8-22(25)28-20/h5-9,12-13,17H,3-4,10-11,23H2,1-2H3,(H2,24,27)(H2,25,28)/t17-/m0/s1 | | 定義日: | 2014-03-15 | | 最終更新日: | 2014-05-02 | | 公開日: | 2014-05-07 | | 識別子（ID）: | 6-[(2R)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine |
|
 | | NN7 | | 表記: | N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide | | 組成式: | C25 H27 F N4 O2 S | | SMILES: | O=S(=O)(c1c(cc(cc1C)C)C)NC(C)CNc2cccc3c2cnn3c4ccc(F)cc4 | | InChi: | InChI=1S/C25H27FN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1 | | 定義日: | 2014-03-07 | | 最終更新日: | 2014-05-02 | | 公開日: | 2014-05-07 | | 識別子（ID）: | N-[(2S)-1-{[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}propan-2-yl]-2,4,6-trimethylbenzenesulfonamide |
|
 | | 71S | | 表記: | 6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine | | 組成式: | C22 H28 N6 | | SMILES: | n1c(N)cc(cc1CCc2cc(cnc2)C(Cc3nc(N)cc(c3)C)CN)C | | InChi: | InChI=1S/C22H28N6/c1-14-5-19(27-21(24)7-14)4-3-16-9-18(13-26-12-16)17(11-23)10-20-6-15(2)8-22(25)28-20/h5-9,12-13,17H,3-4,10-11,23H2,1-2H3,(H2,24,27)(H2,25,28)/t17-/m1/s1 | | 定義日: | 2014-03-15 | | 最終更新日: | 2014-05-02 | | 公開日: | 2014-05-07 | | 識別子（ID）: | 6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine |
|
 | | 2U4 | | 表記: | (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid | | 組成式: | C25 H24 N6 O14 S | | SMILES: | O=C(O)C(N2C(=O)c1cc(O)c(O)cc1C2=O)CC(=NOCC(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N)/C(=O)O | | InChi: | InChI=1S/C25H24N6O14S/c1-25(2,23(42)43)45-30-17(13-8-46-24(26)28-13)18(35)27-9(6-32)7-44-29-12(21(38)39)5-14(22(40)41)31-19(36)10-3-15(33)16(34)4-11(10)20(31)37/h3-4,6,8-9,14,33-34H,5,7H2,1-2H3,(H2,26,28)(H,27,35)(H,38,39)(H,40,41)(H,42,43)/b29-12+,30-17-/t9-,14+/m1/s1 | | 定義日: | 2014-02-04 | | 最終更新日: | 2014-05-02 | | 公開日: | 2014-05-07 | | 識別子（ID）: | (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid |
|
 | | 7S7 | | 表記: | 6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)propyl)-4-methylpyridin-2-amine | | 組成式: | C22 H28 N6 | | SMILES: | n1c(N)cc(cc1CCc2nc(ccc2)C(Cc3nc(N)cc(c3)C)CN)C | | InChi: | InChI=1S/C22H28N6/c1-14-8-18(27-21(24)10-14)7-6-17-4-3-5-20(26-17)16(13-23)12-19-9-15(2)11-22(25)28-19/h3-5,8-11,16H,6-7,12-13,23H2,1-2H3,(H2,24,27)(H2,25,28)/t16-/m1/s1 | | 定義日: | 2014-03-15 | | 最終更新日: | 2014-05-02 | | 公開日: | 2014-05-07 | | 識別子（ID）: | 6-[(2R)-3-amino-2-{6-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-2-yl}propyl]-4-methylpyridin-2-amine |
|
 | | BQ7 | | 表記: | (3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid | | 組成式: | C9 H9 F2 N O2 | | SMILES: | O=C(O)C(F)(F)C(N)c1ccccc1 | | InChi: | InChI=1S/C9H9F2NO2/c10-9(11,8(13)14)7(12)6-4-2-1-3-5-6/h1-5,7H,12H2,(H,13,14)/t7-/m0/s1 | | 定義日: | 2013-09-16 | | 最終更新日: | 2014-05-02 | | 公開日: | 2014-05-07 | | 識別子（ID）: | (3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid |
|
 | | CYC | | 表記: | PHYCOCYANOBILIN | | 組成式: | C33 H40 N4 O6 | | SMILES: | CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2014-05-01 | | 識別子（ID）: | (3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one |
|
 | | A7I | | 表記: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE | | 組成式: | C15 H24 Cl N3 O3 S2 | | SMILES: | O=C(NCCS(=O)(=O)NC1CCN(C(C)C)CC1)c2sc(Cl)cc2 | | InChi: | InChI=1S/C15H24ClN3O3S2/c1-11(2)19-8-5-12(6-9-19)18-24(21,22)10-7-17-15(20)13-3-4-14(16)23-13/h3-4,11-12,18H,5-10H2,1-2H3,(H,17,20) | | 定義日: | 2011-11-14 | | 最終更新日: | 2014-04-30 | | 識別子（ID）: | 5-chloro-N-(2-{[1-(1-methylethyl)piperidin-4-yl]sulfamoyl}ethyl)thiophene-2-carboxamide |
|
 | | 1X6 | | 表記: | O-[(2E)-3-AMINOPROP-2-ENOYL]-L-SERINE | | 組成式: | C6 H10 N2 O4 | | SMILES: | O=C(OCC(C(=O)O)N)C=CN | | InChi: | InChI=1S/C6H10N2O4/c7-2-1-5(9)12-3-4(8)6(10)11/h1-2,4H,3,7-8H2,(H,10,11)/b2-1+/t4-/m0/s1 | | 定義日: | 2011-06-23 | | 最終更新日: | 2014-04-29 | | 識別子（ID）: | O-[(2E)-3-aminoprop-2-enoyl]-L-serine |
|
 | | AXZ | | 表記: | 2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid | | 組成式: | C11 H18 N2 O5 S | | SMILES: | O=C(O)C(NS(O)(O)c1ccc(cc1)CCN)CO | | InChi: | InChI=1S/C11H18N2O5S/c12-6-5-8-1-3-9(4-2-8)19(17,18)13-10(7-14)11(15)16/h1-4,10,13-14,17-18H,5-7,12H2,(H,15,16)/t10-/m0/s1 | | 定義日: | 2014-03-05 | | 最終更新日: | 2014-04-25 | | 公開日: | 2014-04-30 | | 識別子（ID）: | N-{[4-(2-aminoethyl)phenyl](dihydroxy)-lambda~4~-sulfanyl}-L-serine |
|
 | | GSH | | 表記: | GLUTATHIONE | | 組成式: | C10 H17 N3 O6 S | | SMILES: | O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS | | InChi: | InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2014-04-22 | | 識別子（ID）: | L-gamma-glutamyl-L-cysteinylglycine |
|
 | | 2JA | | 表記: | [(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid | | 組成式: | C6 H14 O7 P2 | | SMILES: | CC(CO)=CCC[P](O)(=O)O[P](O)(O)=O | | InChi: | InChI=1S/C6H14O7P2/c1-6(5-7)3-2-4-14(8,9)13-15(10,11)12/h3,7H,2,4-5H2,1H3,(H,8,9)(H2,10,11,12)/b6-3+ | | 定義日: | 2013-10-28 | | 最終更新日: | 2014-04-18 | | 公開日: | 2014-04-23 | | 識別子（ID）: | [(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid |
|
 | | 4MQ | | 表記: | 4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE | | 組成式: | C14 H18 N4 | | SMILES: | n1c3c(c(nc1)N2CCCN(C)CC2)cccc3 | | InChi: | InChI=1S/C14H18N4/c1-17-7-4-8-18(10-9-17)14-12-5-2-3-6-13(12)15-11-16-14/h2-3,5-6,11H,4,7-10H2,1H3 | | 定義日: | 2011-11-14 | | 最終更新日: | 2014-04-16 | | 公開日: | 2012-10-19 | | 識別子（ID）: | 4-(4-methyl-1,4-diazepan-1-yl)quinazoline |
|
 | | 52N | | 表記: | 1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate | | 組成式: | C25 H49 O19 P3 | | SMILES: | O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC | | InChi: | InChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20+,21-,22+,23-,24-,25+/m1/s1 | | 定義日: | 2014-01-16 | | 最終更新日: | 2014-04-11 | | 公開日: | 2014-04-16 | | 識別子（ID）: | (2R)-3-{[(S)-hydroxy{[(1R,2S,3R,4R,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate |
|
 | | 2H1 | | 表記: | 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | 組成式: | C25 H24 N6 O | | SMILES: | n1c(c2c(nc1)n(nc2c5cc4ccc(OCc3ccccc3)nc4c(c5)C)C(C)C)N | | InChi: | InChI=1S/C25H24N6O/c1-15(2)31-25-21(24(26)27-14-28-25)23(30-31)19-11-16(3)22-18(12-19)9-10-20(29-22)32-13-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H2,26,27,28) | | 定義日: | 2013-10-18 | | 最終更新日: | 2014-04-11 | | 公開日: | 2014-04-16 | | 識別子（ID）: | 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
|
 | | 2VX | | 表記: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide | | 組成式: | C19 H20 F2 N4 O3 S | | SMILES: | O=S(=O)(Nc1ccc(F)c(c1F)N(c2ccc3N=CN(C(=O)c3c2)C)C)CCC | | InChi: | InChI=1S/C19H20F2N4O3S/c1-4-9-29(27,28)23-16-8-6-14(20)18(17(16)21)25(3)12-5-7-15-13(10-12)19(26)24(2)11-22-15/h5-8,10-11,23H,4,9H2,1-3H3 | | 定義日: | 2014-02-28 | | 最終更新日: | 2014-04-04 | | 公開日: | 2014-04-09 | | 識別子（ID）: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide |
|
 | | 2Q9 | | 表記: | 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one | | 組成式: | C26 H34 N4 O2 | | SMILES: | O=C5NCCc4cc(n1c3c(c2c1CN(CC2)C)C(=O)CC(C3)(C)C)cc(NC(C)C)c45 | | InChi: | InChI=1S/C26H34N4O2/c1-15(2)28-19-11-17(10-16-6-8-27-25(32)23(16)19)30-20-12-26(3,4)13-22(31)24(20)18-7-9-29(5)14-21(18)30/h10-11,15,28H,6-9,12-14H2,1-5H3,(H,27,32) | | 定義日: | 2014-01-07 | | 最終更新日: | 2014-04-04 | | 公開日: | 2014-04-09 | | 識別子（ID）: | 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one |
|
 | | 631 | | 表記: | (1R,2S)-2-{3-[(E)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one | | 組成式: | C29 H28 N4 O2 | | SMILES: | O=C2Nc1ccc(OC)cc1C26CC6c4ccc5c(C=Cc3ccc(cc3)CN(C)C)nnc5c4 | | InChi: | InChI=1S/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29-/m0/s1 | | 定義日: | 2013-04-03 | | 最終更新日: | 2014-03-28 | | 公開日: | 2014-04-02 | | 識別子（ID）: | (1R,2S)-2-{3-[(E)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one |
|
 | | 23K | | 表記: | 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea | | 組成式: | C27 H38 F N3 O4 S | | SMILES: | O=C(NC(C)(C)C)NC(Cc1ccccc1)C(O)CN3CC(Cc2c(ccc(F)c2)S3(=O)=O)C(C)C | | InChi: | InChI=1S/C27H38FN3O4S/c1-18(2)21-14-20-15-22(28)11-12-25(20)36(34,35)31(16-21)17-24(32)23(13-19-9-7-6-8-10-19)29-26(33)30-27(3,4)5/h6-12,15,18,21,23-24,32H,13-14,16-17H2,1-5H3,(H2,29,30,33)/t21-,23-,24+/m0/s1 | | 定義日: | 2013-08-26 | | 最終更新日: | 2014-03-28 | | 公開日: | 2014-04-02 | | 識別子（ID）: | 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea |
|
 | | 23L | | 表記: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate | | 組成式: | C27 H35 F N2 O6 S | | SMILES: | O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CN4CC(Cc3c(ccc(F)c3)S4(=O)=O)C(C)C | | InChi: | InChI=1S/C27H35FN2O6S/c1-18(2)21-13-20-14-22(28)8-9-26(20)37(33,34)30(15-21)16-25(31)24(12-19-6-4-3-5-7-19)29-27(32)36-23-10-11-35-17-23/h3-9,14,18,21,23-25,31H,10-13,15-17H2,1-2H3,(H,29,32)/t21-,23-,24-,25+/m0/s1 | | 定義日: | 2013-08-26 | | 最終更新日: | 2014-03-28 | | 公開日: | 2014-04-02 | | 識別子（ID）: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
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 | | QWS | | 表記: | 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide | | 組成式: | C18 H19 N5 O3 | | SMILES: | O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OC(C)C)cc3 | | InChi: | InChI=1S/C18H19N5O3/c1-10(2)26-12-7-6-11-4-3-5-15(13(11)8-12)23-9-14(21-18(20)25)16(22-23)17(19)24/h3-10H,1-2H3,(H2,19,24)(H3,20,21,25) | | 定義日: | 2013-08-09 | | 最終更新日: | 2014-03-28 | | 公開日: | 2014-04-02 | | 識別子（ID）: | 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide |
|
 | | HNN | | 表記: | PORPHYCENE CONTAINING MN | | 組成式: | C34 H36 Mn N4 O4 | | SMILES: | O=C(O)CCC=7C1=C3C(=C(C=2C=Cc6c(c(c5C8=[N+]4C(=CC=C(N1[Mn]4([N+]=23)n56)C=7C)C(=C8C)CC)C)CC)C)CCC(=O)O | | InChi: | InChI=1S/C34H38N4O4.Mn/c1-7-21-19(5)31-32-20(6)22(8-2)28(38-32)14-12-26-18(4)24(10-16-30(41)42)34(36-26)33-23(9-15-29(39)40)17(3)25(35-33)11-13-27(21)37-31 | | 定義日: | 2013-09-27 | | 最終更新日: | 2014-03-21 | | 公開日: | 2014-03-26 | | 識別子（ID）: | {3,3'-[9,14-diethyl-4,10,13,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1~2,5~.1~8,11~.1~12,15~]tetracosa-1,3,5(24),6,8,10,12(22),13,15,17,19-undecaene-3,20-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}manganese(2+) |
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 | | 1KG | | 表記: | (3beta,9beta,22R,25R)-3-hydroxyfurost-5-en-27-yl propanoate | | 組成式: | C30 H48 O4 | | SMILES: | O=C(OCC(C)CCC5OC4C(C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)C4)C)C5C)CC | | InChi: | InChI=1S/C30H48O4/c1-6-27(32)33-17-18(2)7-10-25-19(3)28-26(34-25)16-24-22-9-8-20-15-21(31)11-13-29(20,4)23(22)12-14-30(24,28)5/h8,18-19,21-26,28,31H,6-7,9-17H2,1-5H3/t18-,19-,21+,22-,23+,24+,25-,26+,28+,29+,30+/m1/s1 | | 定義日: | 2013-03-05 | | 最終更新日: | 2014-03-21 | | 公開日: | 2014-03-26 | | 識別子（ID）: | (3beta,9beta,22R,25R)-3-hydroxyfurost-5-en-27-yl propanoate |
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 | | 1RR | | 表記: | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | | 組成式: | C38 H47 N5 O7 | | SMILES: | O=C(N5C(C(=O)NC1(C(=O)O)CC1/C=C)CC(Oc3c4ccc(OC)cc4nc(c2ccccc2)c3)C5)C(NC(=O)NC(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C38H47N5O7/c1-9-23-20-38(23,34(46)47)41-32(44)29-18-25(21-43(29)33(45)31(36(2,3)4)40-35(48)42-37(5,6)7)50-30-19-27(22-13-11-10-12-14-22)39-28-17-24(49-8)15-16-26(28)30/h9-17,19,23,25,29,31H,1,18,20-21H2,2-8H3,(H,41,44)(H,46,47)(H2,40,42,48)/t23-,25-,29+,31-,38-/m1/s1 | | 定義日: | 2013-05-09 | | 最終更新日: | 2014-03-21 | | 公開日: | 2014-03-26 | | 識別子（ID）: | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide |
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 | | HRU | | 表記: | (ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium | | 組成式: | C12 H22 N2 Ru | | SMILES: | C7[NH2+][Ru]65432(C1C6C5(C4C3C12C(C)C)C)[NH2+]C7 | | InChi: | InChI=1S/C10H14.C2H8N2.Ru/c1-8(2)10-6-4-9(3)5-7-10 | | 定義日: | 2013-06-03 | | 最終更新日: | 2014-03-21 | | 公開日: | 2014-03-26 | | 識別子（ID）: | (ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium |
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