 | | S07 | | 表記: | 2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone | | 組成式: | C14 H19 N O3 | | SMILES: | Cc1ccc(OCC(=O)N2CCOCC2)c(C)c1 | | InChi: | InChI=1S/C14H19NO3/c1-11-3-4-13(12(2)9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3 | | 定義日: | 2020-03-03 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | 2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone |
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 | | U2J | | 表記: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide | | 組成式: | C23 H24 N10 O5 S | | SMILES: | c1cc(ccc1c2nnnn2)C(=O)N4CC(CC4c3nc(cs3)C(NC)=O)NC(C5CC(=O)N(C(N5)=O)C)=O | | InChi: | InChI=1S/C23H24N10O5S/c1-24-19(35)15-10-39-21(26-15)16-7-13(25-20(36)14-8-17(34)32(2)23(38)27-14)9-33(16)22(37)12-5-3-11(4-6-12)18-28-30-31-29-18/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,24,35)(H,25,36)(H,27,38)(H,28,29,30,31)/t13-,14-,16-/m0/s1 | | 定義日: | 2020-04-09 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide |
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 | | S0S | | 表記: | (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol | | 組成式: | C10 H14 N2 O3 S | | SMILES: | O[CH]1C[S](=O)(=O)C[CH]1NCc2cccnc2 | | InChi: | InChI=1S/C10H14N2O3S/c13-10-7-16(14,15)6-9(10)12-5-8-2-1-3-11-4-8/h1-4,9-10,12-13H,5-7H2/t9-,10-/m0/s1 | | 定義日: | 2020-03-03 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol |
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 | | SGG | | 表記: | [(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid | | 組成式: | C18 H22 Cl2 N O3 P | | SMILES: | C[CH](NC[CH](O)C[P](O)(=O)Cc1ccccc1)c2ccc(Cl)c(Cl)c2 | | InChi: | InChI=1S/C18H22Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h2-9,13,16,21-22H,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1 | | 定義日: | 2020-03-09 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | [(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid |
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 | | U3G | | 表記: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate | | 組成式: | C43 H76 N O8 P | | SMILES: | [C@H](=CCCCCCCCC)CCCCCCCC(=O)OC(COC(CCCC=C/CC=[C@H]CC=[C@H]C[C@H]=[C@H]CCCCC)=O)COP(O)(=O)OCCN | | InChi: | InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,27,29,41H,3-10,12,14-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1 | | 定義日: | 2020-04-13 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
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 | | S1G | | 表記: | 4-[(phenylmethyl)amino]benzoic acid | | 組成式: | C14 H13 N O2 | | SMILES: | OC(=O)c1ccc(NCc2ccccc2)cc1 | | InChi: | InChI=1S/C14H13NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17) | | 定義日: | 2020-03-03 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | 4-[(phenylmethyl)amino]benzoic acid |
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 | | S1M | | 表記: | methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate | | 組成式: | C9 H14 N2 O4 | | SMILES: | COC(=O)C[CH]1N(CCNC1=O)C(C)=O | | InChi: | InChI=1S/C9H14N2O4/c1-6(12)11-4-3-10-9(14)7(11)5-8(13)15-2/h7H,3-5H2,1-2H3,(H,10,14)/t7-/m0/s1 | | 定義日: | 2020-03-03 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate |
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 | | U3V | | 表記: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide | | 組成式: | C24 H38 N6 O4 | | SMILES: | c1c(n(C)nc1C(C)(C)C)C(=O)N2CCC(CC2)CC(C(NC)=O)NC(C3CCCC(N3)=O)=O | | InChi: | InChI=1S/C24H38N6O4/c1-24(2,3)19-14-18(29(5)28-19)23(34)30-11-9-15(10-12-30)13-17(21(32)25-4)27-22(33)16-7-6-8-20(31)26-16/h14-17H,6-13H2,1-5H3,(H,25,32)(H,26,31)(H,27,33)/t16-,17-/m0/s1 | | 定義日: | 2020-04-15 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide |
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 | | U3Y | | 表記: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide | | 組成式: | C23 H24 N10 O5 S | | SMILES: | c1cc(ccc1c2nnnn2)C(=O)N4CC(CC4c3nc(cs3)C(NC)=O)NC(C5CC(=O)N(C(N5)=O)C)=O | | InChi: | InChI=1S/C23H24N10O5S/c1-24-19(35)15-10-39-21(26-15)16-7-13(25-20(36)14-8-17(34)32(2)23(38)27-14)9-33(16)22(37)12-5-3-11(4-6-12)18-28-30-31-29-18/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,24,35)(H,25,36)(H,27,38)(H,28,29,30,31)/t13-,14-,16+/m0/s1 | | 定義日: | 2020-04-15 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide |
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 | | U44 | | 表記: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide | | 組成式: | C11 H22 N2 O3 S | | SMILES: | C(S)CNC(CCNC(=O)C(C(C)(C)C)O)=O | | InChi: | InChI=1S/C11H22N2O3S/c1-11(2,3)9(15)10(16)13-5-4-8(14)12-6-7-17/h9,15,17H,4-7H2,1-3H3,(H,12,14)(H,13,16)/t9-/m0/s1 | | 定義日: | 2020-04-16 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide |
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 | | S2J | | 表記: | methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate | | 組成式: | C10 H17 N3 O4 | | SMILES: | CCNC(=O)N1CCNC(=O)[CH]1CC(=O)OC | | InChi: | InChI=1S/C10H17N3O4/c1-3-11-10(16)13-5-4-12-9(15)7(13)6-8(14)17-2/h7H,3-6H2,1-2H3,(H,11,16)(H,12,15)/t7-/m1/s1 | | 定義日: | 2020-03-03 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate |
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 | | S2S | | 表記: | 4-(methylsulfonylamino)benzamide | | 組成式: | C8 H10 N2 O3 S | | SMILES: | C[S](=O)(=O)Nc1ccc(cc1)C(N)=O | | InChi: | InChI=1S/C8H10N2O3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h2-5,10H,1H3,(H2,9,11) | | 定義日: | 2020-03-03 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | 4-(methylsulfonylamino)benzamide |
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 | | S2V | | 表記: | (1-methylpiperidin-4-yl) 3-fluoranylbenzoate | | 組成式: | C13 H16 F N O2 | | SMILES: | CN1CCC(CC1)OC(=O)c2cccc(F)c2 | | InChi: | InChI=1S/C13H16FNO2/c1-15-7-5-12(6-8-15)17-13(16)10-3-2-4-11(14)9-10/h2-4,9,12H,5-8H2,1H3 | | 定義日: | 2020-03-03 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | (1-methylpiperidin-4-yl) 3-fluoranylbenzoate |
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 | | S2Y | | 表記: | ~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline | | 組成式: | C14 H14 F N O | | SMILES: | COc1ccc(NCc2ccc(F)cc2)cc1 | | InChi: | InChI=1S/C14H14FNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3 | | 定義日: | 2020-03-03 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | ~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline |
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 | | U6D | | 表記: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline | | 組成式: | C28 H33 F4 N3 O | | SMILES: | C5c1c(nc2c1cccc2)C(c4c(cc(OCCN3CC(CF)C3)cc4F)F)N(CC(F)(C)C)C5C | | InChi: | InChI=1S/C28H33F4N3O/c1-17-10-21-20-6-4-5-7-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)11-19(12-23(25)31)36-9-8-34-14-18(13-29)15-34/h4-7,11-12,17-18,27,33H,8-10,13-16H2,1-3H3/t17-,27-/m1/s1 | | 定義日: | 2020-04-27 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline |
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 | | O6T | | 表記: | biotC4-1 cofactor | | 組成式: | C29 H37 Fe N7 O6 S | | SMILES: | CC1(C)N2C(=O)C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(C1=O)[Fe]234)C(=O)NCCCC[CH]6SC[CH]7NC(=O)N[CH]67 | | InChi: | InChI=1S/C29H41N7O6S.Fe/c1-27(2)22(38)35-28(3,4)24(40)31-16-11-10-15(13-17(16)32-25(41)29(5,6)36-23(27)39)21(37)30-12-8-7-9-19-20-18(14-43-19)33-26(42)34-20 | | 定義日: | 2020-02-17 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 |
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 | | O7Q | | 表記: | biotC5-1 cofactor | | 組成式: | C30 H39 Fe N7 O6 S | | SMILES: | CC1(C)N2C(=O)C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(C1=O)[Fe]234)C(=O)NCCCCC[CH]6SC[CH]7NC(=O)N[CH]67 | | InChi: | InChI=1S/C30H43N7O6S.Fe/c1-28(2)23(39)36-29(3,4)25(41)32-17-12-11-16(14-18(17)33-26(42)30(5,6)37-24(28)40)22(38)31-13-9-7-8-10-20-21-19(15-44-20)34-27(43)35-21 | | 定義日: | 2020-02-18 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 |
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 | | 7ZW | | 表記: | 2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide | | 組成式: | C16 H18 F3 N3 O3 | | SMILES: | CC(C)C[CH]1NC(=O)N(CC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O | | InChi: | InChI=1S/C16H18F3N3O3/c1-9(2)7-12-14(24)22(15(25)21-12)8-13(23)20-11-5-3-10(4-6-11)16(17,18)19/h3-6,9,12H,7-8H2,1-2H3,(H,20,23)(H,21,25)/t12-/m1/s1 | | 定義日: | 2020-03-12 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | 2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide |
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 | | OO4 | | 表記: | methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate | | 組成式: | C32 H41 N3 O8 | | SMILES: | c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C5CC5)NC(OC)=O | | InChi: | InChI=1S/C32H41N3O8/c1-40-31(38)35-28(22-12-13-22)29(37)34-25(17-21-10-6-3-7-11-21)26(36)18-23(16-20-8-4-2-5-9-20)33-32(39)43-27-19-42-30-24(27)14-15-41-30/h2-11,22-28,30,36H,12-19H2,1H3,(H,33,39)(H,34,37)(H,35,38)/t23-,24-,25-,26-,27-,28-,30+/m0/s1 | | 定義日: | 2019-07-02 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate |
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 | | OO7 | | 表記: | N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea | | 組成式: | C24 H22 F3 N5 O3 | | SMILES: | C(F)(F)(F)Oc4c(CNC(Nc2c(c1ccccc1)nc3n2ccnc3C)=O)cc(cc4)COC | | InChi: | InChI=1S/C24H22F3N5O3/c1-15-21-30-20(17-6-4-3-5-7-17)22(32(21)11-10-28-15)31-23(33)29-13-18-12-16(14-34-2)8-9-19(18)35-24(25,26)27/h3-12H,13-14H2,1-2H3,(H2,29,31,33) | | 定義日: | 2019-07-02 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea |
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 | | OP7 | | 表記: | methyl [(1S)-1-cyclopentyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate | | 組成式: | C34 H45 N3 O8 | | SMILES: | c5c(CC(C(CC(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)NC(C(C4CCCC4)NC(OC)=O)=O)cccc5 | | InChi: | InChI=1S/C34H45N3O8/c1-42-33(40)37-30(24-14-8-9-15-24)31(39)36-27(19-23-12-6-3-7-13-23)28(38)20-25(18-22-10-4-2-5-11-22)35-34(41)45-29-21-44-32-26(29)16-17-43-32/h2-7,10-13,24-30,32,38H,8-9,14-21H2,1H3,(H,35,41)(H,36,39)(H,37,40)/t25-,26-,27-,28-,29-,30-,32+/m0/s1 | | 定義日: | 2019-07-02 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | methyl [(1S)-1-cyclopentyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate |
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 | | OPJ | | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate | | 組成式: | C33 H43 N3 O8 | | SMILES: | c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C5(CCCC5)NC(=O)OC | | InChi: | InChI=1S/C33H43N3O8/c1-41-32(40)36-33(15-8-9-16-33)30(38)35-26(19-23-12-6-3-7-13-23)27(37)20-24(18-22-10-4-2-5-11-22)34-31(39)44-28-21-43-29-25(28)14-17-42-29/h2-7,10-13,24-29,37H,8-9,14-21H2,1H3,(H,34,39)(H,35,38)(H,36,40)/t24-,25-,26-,27-,28-,29+/m0/s1 | | 定義日: | 2019-07-02 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate |
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 | | OQ7 | | 表記: | methyl [(1S)-1-cyclopentyl-2-({(2S,4S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate | | 組成式: | C34 H45 N3 O8 | | SMILES: | C2C1C(COC1OC2)OC(=O)NC(Cc3ccccc3)C(CC(Cc4ccccc4)NC(C(C5CCCC5)NC(OC)=O)=O)O | | InChi: | InChI=1S/C34H45N3O8/c1-42-33(40)37-30(24-14-8-9-15-24)31(39)35-25(18-22-10-4-2-5-11-22)20-28(38)27(19-23-12-6-3-7-13-23)36-34(41)45-29-21-44-32-26(29)16-17-43-32/h2-7,10-13,24-30,32,38H,8-9,14-21H2,1H3,(H,35,39)(H,36,41)(H,37,40)/t25-,26-,27-,28-,29-,30-,32+/m0/s1 | | 定義日: | 2019-07-02 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | methyl [(1S)-1-cyclopentyl-2-({(2S,4S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate |
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 | | OQA | | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate | | 組成式: | C33 H45 N3 O8 | | SMILES: | c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C(CC)C)NC(OC)=O | | InChi: | InChI=1S/C33H45N3O8/c1-4-21(2)29(36-32(39)41-3)30(38)35-26(18-23-13-9-6-10-14-23)27(37)19-24(17-22-11-7-5-8-12-22)34-33(40)44-28-20-43-31-25(28)15-16-42-31/h5-14,21,24-29,31,37H,4,15-20H2,1-3H3,(H,34,40)(H,35,38)(H,36,39)/t21-,24+,25+,26+,27+,28+,29+,31-/m1/s1 | | 定義日: | 2019-07-02 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
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 | | OQD | | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate | | 組成式: | C33 H45 N3 O8 | | SMILES: | c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C(C)CC)NC(OC)=O | | InChi: | InChI=1S/C33H45N3O8/c1-4-21(2)29(36-32(39)41-3)30(38)35-26(18-23-13-9-6-10-14-23)27(37)19-24(17-22-11-7-5-8-12-22)34-33(40)44-28-20-43-31-25(28)15-16-42-31/h5-14,21,24-29,31,37H,4,15-20H2,1-3H3,(H,34,40)(H,35,38)(H,36,39)/t21-,24-,25-,26-,27-,28-,29-,31+/m0/s1 | | 定義日: | 2019-07-02 | | 最終更新日: | 2020-06-26 | | 公開日: | 2020-07-01 | | 識別子（ID）: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
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