| V42 | 表記: | (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate | 組成式: | C11 H9 N3 O6 S | SMILES: | Cn1cc(cn1)[S](=O)(=O)Oc2cc(C=O)ccc2[N+]([O-])=O | InChi: | InChI=1S/C11H9N3O6S/c1-13-6-9(5-12-13)21(18,19)20-11-4-8(7-15)2-3-10(11)14(16)17/h2-7H,1H3 | 定義日: | 2021-04-12 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate |
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| V48 | 表記: | (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate | 組成式: | C16 H13 N O6 | SMILES: | COc1cccc(CC(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)c1 | InChi: | InChI=1S/C16H13NO6/c1-22-13-4-2-3-11(7-13)9-16(19)23-15-8-12(10-18)5-6-14(15)17(20)21/h2-8,10H,9H2,1H3 | 定義日: | 2021-04-12 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate |
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| V4B | 表記: | [5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate | 組成式: | C15 H9 F3 N2 O5 | SMILES: | Cc1nc(ccc1C(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)C(F)(F)F | InChi: | InChI=1S/C15H9F3N2O5/c1-8-10(3-5-13(19-8)15(16,17)18)14(22)25-12-6-9(7-21)2-4-11(12)20(23)24/h2-7H,1H3 | 定義日: | 2021-04-12 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | (5-methanoyl-2-nitro-phenyl) 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate |
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| V4H | 表記: | 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde | 組成式: | C13 H15 N O3 | SMILES: | O[CH]1CCCN(C1)C(=O)c2ccc(C=O)cc2 | InChi: | InChI=1S/C13H15NO3/c15-9-10-3-5-11(6-4-10)13(17)14-7-1-2-12(16)8-14/h3-6,9,12,16H,1-2,7-8H2/t12-/m1/s1 | 定義日: | 2021-04-12 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde |
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| V4K | 表記: | 4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde | 組成式: | C15 H19 N O3 | SMILES: | OCCC1CCN(CC1)C(=O)c2ccc(C=O)cc2 | InChi: | InChI=1S/C15H19NO3/c17-10-7-12-5-8-16(9-6-12)15(19)14-3-1-13(11-18)2-4-14/h1-4,11-12,17H,5-10H2 | 定義日: | 2021-04-12 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde |
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| V4N | 表記: | (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate | 組成式: | C14 H8 Cl N O5 | SMILES: | [O-][N+](=O)c1ccc(C=O)cc1OC(=O)c2cccc(Cl)c2 | InChi: | InChI=1S/C14H8ClNO5/c15-11-3-1-2-10(7-11)14(18)21-13-6-9(8-17)4-5-12(13)16(19)20/h1-8H | 定義日: | 2021-04-12 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate |
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| 06M | 表記: | 6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one | 組成式: | C26 H25 N7 O2 S | SMILES: | CS(=N)(=O)C1(CC1)c1cc(nc(n1)c1ccnc2[NH]ccc21)C1=CN(CCC=C)C(=O)c2[NH]ccc12 | InChi: | InChI=1S/C26H25N7O2S/c1-3-4-13-33-15-19(16-5-10-28-22(16)25(33)34)20-14-21(26(8-9-26)36(2,27)35)32-24(31-20)18-7-12-30-23-17(18)6-11-29-23/h3,5-7,10-12,14-15,27-28H,1,4,8-9,13H2,2H3,(H,29,30)/t36-/m1/s1 | 定義日: | 2021-06-03 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one |
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| W6X | 表記: | 1,1,1-tris(fluoranyl)propan-2-one | 組成式: | C3 H3 F3 O | SMILES: | CC(=O)C(F)(F)F | InChi: | InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3 | 定義日: | 2020-06-06 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 1,1,1-tris(fluoranyl)propan-2-one |
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| W6Z | 表記: | 1,1,1-tris(fluoranyl)propane-2,2-diol | 組成式: | C3 H5 F3 O2 | SMILES: | CC(O)(O)C(F)(F)F | InChi: | InChI=1S/C3H5F3O2/c1-2(7,8)3(4,5)6/h7-8H,1H3 | 定義日: | 2020-06-06 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 1,1,1-tris(fluoranyl)propane-2,2-diol |
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| WMA | 表記: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione | 組成式: | C15 H17 N3 O2 | SMILES: | n2c3ccccc3c(CC1C(NC(C(=O)N1)CC)=O)c2 | InChi: | InChI=1S/C15H17N3O2/c1-2-11-14(19)18-13(15(20)17-11)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,13,16H,2,7H2,1H3,(H,17,20)(H,18,19)/t11-,13-/m0/s1 | 定義日: | 2020-06-05 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione |
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| EW3 | 表記: | [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | 組成式: | C9 H14 F N2 O8 P | SMILES: | O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O)NC2=O | InChi: | InChI=1S/C9H14FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h4,6-8,14H,1-3H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | 定義日: | 2020-02-10 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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| EWC | 表記: | [(2~{R},3~{S},5~{R})-5-[(5~{S})-7-azanyl-2,4,9-tris(oxidanylidene)-1,3,6,8-tetrazaspiro[4.4]non-7-en-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | 組成式: | C10 H14 N5 O9 P | SMILES: | NC1=NC(=O)[C]2(N1)N([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C(=O)NC2=O | InChi: | InChI=1S/C10H14N5O9P/c11-8-12-6(17)10(14-8)7(18)13-9(19)15(10)5-1-3(16)4(24-5)2-23-25(20,21)22/h3-5,16H,1-2H2,(H,13,18,19)(H2,20,21,22)(H3,11,12,14,17)/t3-,4+,5+,10+/m0/s1 | 定義日: | 2020-02-12 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | [(2~{R},3~{S},5~{R})-5-[(5~{S})-7-azanyl-2,4,9-tris(oxidanylidene)-1,3,6,8-tetrazaspiro[4.4]non-7-en-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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| X5M | 表記: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one | 組成式: | C15 H21 N4 O3 | SMILES: | CCN(CC)c1ccc(cc1[N](O)=O)C2=NNC(=O)C[CH]2C | InChi: | InChI=1S/C15H21N4O3/c1-4-18(5-2)12-7-6-11(9-13(12)19(21)22)15-10(3)8-14(20)16-17-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)(H,21,22)/t10-/m1/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one |
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| ZNM | 表記: | 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol | 組成式: | C27 H31 F5 N4 O | SMILES: | FCCCN1CC(C1)Nc1cc(F)c(c(F)c1)C1c2[NH]c3ccccc3c2CC(C)N1CC(F)(F)CO | InChi: | InChI=1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1 | 定義日: | 2021-05-11 | 最終更新日: | 2021-05-28 | 公開日: | 2021-06-02 | 識別子(ID): | 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol |
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| R7Y | 表記: | (1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh
exyl 3-amino-3-deoxy-alpha-D-glucopyranoside | 組成式: | C20 H39 N5 O10 | SMILES: | CC(=O)NC1CC(C(OC1OC2C(N)CC(C(C2O)OC3OC(CO)C(O)C(C3O)N)N)CN)O | InChi: | InChI=1S/C20H39N5O10/c1-6(27)25-9-3-10(28)11(4-21)32-19(9)34-17-7(22)2-8(23)18(16(17)31)35-20-15(30)13(24)14(29)12(5-26)33-20/h7-20,26,28-31H,2-5,21-24H2,1H3,(H,25,27)/t7-,8+,9+,10-,11+,12+,13-,14+,15+,16-,17+,18-,19+,20+/m0/s1 | 別名: | acetylated-tobramycin | 定義日: | 2020-02-07 | 最終更新日: | 2021-05-28 | 公開日: | 2021-06-02 | 識別子(ID): | (1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside |
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| R85 | 表記: | 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine | 組成式: | C30 H38 Cl N8 O2 P | SMILES: | COc1cc(N2CCC(CC2)N(C)C)c(cc1Nc3ncc(Cl)c(Nc4ccccc4[P](C)(C)=O)n3)c5cnn(C)c5 | InChi: | InChI=1S/C30H38ClN8O2P/c1-37(2)21-11-13-39(14-12-21)26-16-27(41-4)25(15-22(26)20-17-33-38(3)19-20)35-30-32-18-23(31)29(36-30)34-24-9-7-8-10-28(24)42(5,6)40/h7-10,15-19,21H,11-14H2,1-6H3,(H2,32,34,35,36) | 定義日: | 2020-09-17 | 最終更新日: | 2021-05-28 | 公開日: | 2021-06-02 | 識別子(ID): | 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine |
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| Q5W | 表記: | methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate | 組成式: | C17 H14 O2 | SMILES: | COC(=O)C(C)=Cc1ccc2cc(ccc2c1)C#C | InChi: | InChI=1S/C17H14O2/c1-4-13-5-7-16-11-14(6-8-15(16)10-13)9-12(2)17(18)19-3/h1,5-11H,2-3H3/b12-9- | 定義日: | 2020-05-19 | 最終更新日: | 2021-05-28 | 公開日: | 2021-06-02 | 識別子(ID): | methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate |
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| RN9 | 表記: | 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide | 組成式: | C25 H23 Cl N4 O5 | SMILES: | Cc1ccc(NC(=O)CCc2cccc(NC3=CC(=O)N([CH]4CCC(=O)NC4=O)C3=O)c2)cc1Cl | InChi: | InChI=1S/C25H23ClN4O5/c1-14-5-7-17(12-18(14)26)28-21(31)9-6-15-3-2-4-16(11-15)27-19-13-23(33)30(25(19)35)20-8-10-22(32)29-24(20)34/h2-5,7,11-13,20,27H,6,8-10H2,1H3,(H,28,31)(H,29,32,34)/t20-/m0/s1 | 定義日: | 2021-02-12 | 最終更新日: | 2021-05-28 | 公開日: | 2021-06-02 | 識別子(ID): | 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide |
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| RQ2 | 表記: | Ganciclovir triphosphate | 組成式: | C9 H16 N5 O13 P3 | SMILES: | NC1=Nc2n(CO[CH](CO)CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)cnc2C(=O)N1 | InChi: | InChI=1S/C9H16N5O13P3/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-24-5(1-15)2-25-29(20,21)27-30(22,23)26-28(17,18)19/h3,5,15H,1-2,4H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,10,12,13,16)/t5-/m1/s1 | 別名: | [[(2~{R})-2-[(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate | 定義日: | 2020-10-15 | 最終更新日: | 2021-05-28 | 公開日: | 2021-06-02 | 識別子(ID): | [[(2~{R})-2-[(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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| N98 | 表記: | methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate | 組成式: | C21 H15 N3 O4 | SMILES: | COC(=O)c1cc(nc2cc(nn12)c3ccccc3)c4ccc5OCOc5c4 | InChi: | InChI=1S/C21H15N3O4/c1-26-21(25)17-10-15(14-7-8-18-19(9-14)28-12-27-18)22-20-11-16(23-24(17)20)13-5-3-2-4-6-13/h2-11H,12H2,1H3 | 定義日: | 2019-11-18 | 最終更新日: | 2021-05-28 | 公開日: | 2021-06-02 | 識別子(ID): | methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate |
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| H8S | 表記: | N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | 組成式: | C28 H42 N4 O3 S | SMILES: | C(c1ccc3c(c1)sc(CC(NC(=O)CC)C(NC(C2CCCCC2)CNC(=O)C(C)C)=O)n3)(C)C | InChi: | InChI=1S/C28H42N4O3S/c1-6-25(33)30-22(15-26-31-21-13-12-20(17(2)3)14-24(21)36-26)28(35)32-23(16-29-27(34)18(4)5)19-10-8-7-9-11-19/h12-14,17-19,22-23H,6-11,15-16H2,1-5H3,(H,29,34)(H,30,33)(H,32,35)/t22-,23+/m0/s1 | 定義日: | 2018-06-15 | 最終更新日: | 2021-05-28 | 公開日: | 2021-06-02 | 識別子(ID): | N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide |
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| H8V | 表記: | (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide | 組成式: | C33 H51 N5 O4 S | SMILES: | CC(c3ccc4nc(CC(NC(=O)CC)C(NC(C1CCCCC1)CNC(=O)C(CCN2CCOCC2)C)=O)sc4c3)C | InChi: | InChI=1S/C33H51N5O4S/c1-5-30(39)35-27(20-31-36-26-12-11-25(22(2)3)19-29(26)43-31)33(41)37-28(24-9-7-6-8-10-24)21-34-32(40)23(4)13-14-38-15-17-42-18-16-38/h11-12,19,22-24,27-28H,5-10,13-18,20-21H2,1-4H3,(H,34,40)(H,35,39)(H,37,41)/t23-,27+,28-/m1/s1 | 定義日: | 2018-06-15 | 最終更新日: | 2021-05-28 | 公開日: | 2021-06-02 | 識別子(ID): | (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide |
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| H9M | 表記: | (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide | 組成式: | C31 H49 N5 O3 S | SMILES: | s1c(nc2c1cc(cc2)C(C)C)CC(C(=O)NC(C3CCCCC3)CNC(=O)C(CCN(C)C)C)NC(=O)CC | InChi: | InChI=1S/C31H49N5O3S/c1-7-28(37)33-25(18-29-34-24-14-13-23(20(2)3)17-27(24)40-29)31(39)35-26(22-11-9-8-10-12-22)19-32-30(38)21(4)15-16-36(5)6/h13-14,17,20-22,25-26H,7-12,15-16,18-19H2,1-6H3,(H,32,38)(H,33,37)(H,35,39)/t21-,25-,26+/m0/s1 | 定義日: | 2018-06-18 | 最終更新日: | 2021-05-28 | 公開日: | 2021-06-02 | 識別子(ID): | (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide |
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| H9P | 表記: | N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | 組成式: | C31 H44 N6 O3 S | SMILES: | O=C(C(NC(CC)=O)Cc1nc2c(s1)cc(cc2)C(C)C)NC(C3CCCCC3)CNC(C(C)Cn4cncc4)=O | InChi: | InChI=1S/C31H44N6O3S/c1-5-28(38)34-25(16-29-35-24-12-11-23(20(2)3)15-27(24)41-29)31(40)36-26(22-9-7-6-8-10-22)17-33-30(39)21(4)18-37-14-13-32-19-37/h11-15,19-22,25-26H,5-10,16-18H2,1-4H3,(H,33,39)(H,34,38)(H,36,40)/t21-,25-,26+/m0/s1 | 定義日: | 2018-06-18 | 最終更新日: | 2021-05-28 | 公開日: | 2021-06-02 | 識別子(ID): | N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide |
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| H9S | 表記: | (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide | 組成式: | C32 H47 N5 O4 S | SMILES: | C(C)(C)c1ccc2c(c1)sc(n2)CC(C(=O)NC(CNC(=O)[C@H]=CCN3CCOCC3)C4CCCCC4)NC(CC)=O | InChi: | InChI=1S/C32H47N5O4S/c1-4-29(38)34-26(20-31-35-25-13-12-24(22(2)3)19-28(25)42-31)32(40)36-27(23-9-6-5-7-10-23)21-33-30(39)11-8-14-37-15-17-41-18-16-37/h8,11-13,19,22-23,26-27H,4-7,9-10,14-18,20-21H2,1-3H3,(H,33,39)(H,34,38)(H,36,40)/b11-8+/t26-,27+/m0/s1 | 定義日: | 2018-06-18 | 最終更新日: | 2021-05-28 | 公開日: | 2021-06-02 | 識別子(ID): | (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide |
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