| SKQ | 表記: | 5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one | 組成式: | C14 H19 Cl N4 O2 | SMILES: | ClC1=C(C=NNC1=O)N2CCN(C3CCCCC3)C(=O)C2 | InChi: | InChI=1S/C14H19ClN4O2/c15-13-11(8-16-17-14(13)21)18-6-7-19(12(20)9-18)10-4-2-1-3-5-10/h8,10H,1-7,9H2,(H,17,21) | 別名: | GFB-9289 | 定義日: | 2020-11-24 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one |
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| SV5 | 表記: | 1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one | 組成式: | C14 H12 N2 O | SMILES: | O=C1NC=Cc2n(Cc3ccccc3)ccc12 | InChi: | InChI=1S/C14H12N2O/c17-14-12-7-9-16(13(12)6-8-15-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17) | 定義日: | 2020-12-02 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one |
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| OM4 | 表記: | 1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene | 組成式: | C13 H9 Cl3 O | SMILES: | COc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2 | InChi: | InChI=1S/C13H9Cl3O/c1-17-13-5-3-9(7-12(13)16)8-2-4-10(14)11(15)6-8/h2-7H,1H3 | 定義日: | 2016-09-26 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene |
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| OMF | 表記: | 1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene | 組成式: | C13 H8 Cl4 O | SMILES: | COc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2 | InChi: | InChI=1S/C13H8Cl4O/c1-18-12-3-2-7(4-9(12)14)8-5-10(15)13(17)11(16)6-8/h2-6H,1H3 | 定義日: | 2016-09-26 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene |
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| UHJ | 表記: | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide | 組成式: | C16 H14 N4 O3 S2 | SMILES: | CS(Nc1ccc(cc1)c2cncc(c2)[C@H]=C3C(=O)N/C(S3)=N)(=O)=O | InChi: | InChI=1S/C16H14N4O3S2/c1-25(22,23)20-13-4-2-11(3-5-13)12-6-10(8-18-9-12)7-14-15(21)19-16(17)24-14/h2-9,20H,1H3,(H2,17,19,21)/b14-7- | 定義日: | 2019-11-08 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide |
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| VGY | 表記: | 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol | 組成式: | C24 H22 Cl F N4 O | SMILES: | n1c(C(C)(C)O)ncc(c1)c3cc4c(NC(C)c2c(cccc2)F)c(Cl)cnc4cc3 | InChi: | InChI=1S/C24H22ClFN4O/c1-14(17-6-4-5-7-20(17)26)30-22-18-10-15(8-9-21(18)27-13-19(22)25)16-11-28-23(29-12-16)24(2,3)31/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1 | 定義日: | 2020-08-12 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol |
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| VUG | 表記: | 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine | 組成式: | C22 H29 N3 | SMILES: | c4cc(N1CCN(CC1)C3CCC(c2cccc(C)c2)CC3)cnc4 | InChi: | InChI=1S/C22H29N3/c1-18-4-2-5-20(16-18)19-7-9-21(10-8-19)24-12-14-25(15-13-24)22-6-3-11-23-17-22/h2-6,11,16-17,19,21H,7-10,12-15H2,1H3/t19-,21+ | 定義日: | 2020-09-16 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine |
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| VUJ | 表記: | 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one | 組成式: | C23 H29 N3 O | SMILES: | C3N(CCN(C1C=CC(CC1)c2cc(C)ccc2)C3)CC=4C=CC(NC=4)=O | InChi: | InChI=1S/C23H29N3O/c1-18-3-2-4-21(15-18)20-6-8-22(9-7-20)26-13-11-25(12-14-26)17-19-5-10-23(27)24-16-19/h2-6,8,10,15-16,20,22H,7,9,11-14,17H2,1H3,(H,24,27)/t20-,22+/m0/s1 | 定義日: | 2020-09-16 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one |
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| VUM | 表記: | 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one | 組成式: | C23 H28 F3 N3 O2 | SMILES: | C1(C=CC(=CN1)CN2CCN(CC2)C4CCC(O)(c3cc(ccc3)C(F)(F)F)CC4)=O | InChi: | InChI=1S/C23H28F3N3O2/c24-23(25,26)19-3-1-2-18(14-19)22(31)8-6-20(7-9-22)29-12-10-28(11-13-29)16-17-4-5-21(30)27-15-17/h1-5,14-15,20,31H,6-13,16H2,(H,27,30)/t20-,22- | 定義日: | 2020-09-16 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one |
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| VYM | 表記: | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone | 組成式: | C13 H16 N2 O | SMILES: | C(C1CC1)(=O)N3CCCc2ccc(cc23)N | InChi: | InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2 | 定義日: | 2020-09-22 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone |
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| EBO | 表記: | (2~{S})-2-azanyl-4-[(3~{S})-3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonomethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-butanoic acid | 組成式: | C16 H24 N3 O8 P S | SMILES: | Cc1ncc(C[P](O)(O)=O)c(C=N[CH](CCSCC[CH](N)C(O)=O)C(O)=O)c1O | InChi: | InChI=1S/C16H24N3O8PS/c1-9-14(20)11(10(6-18-9)8-28(25,26)27)7-19-13(16(23)24)3-5-29-4-2-12(17)15(21)22/h6-7,12-13,20H,2-5,8,17H2,1H3,(H,21,22)(H,23,24)(H2,25,26,27)/b19-7+/t12-,13-/m0/s1 | 定義日: | 2019-12-06 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | (2~{S})-2-azanyl-4-[(3~{S})-3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonomethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-butanoic acid |
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| EC0 | 表記: | 7-chloranyl-5-nitro-quinolin-8-ol | 組成式: | C9 H5 Cl N2 O3 | SMILES: | Oc1c(Cl)cc(c2cccnc12)[N+]([O-])=O | InChi: | InChI=1S/C9H5ClN2O3/c10-6-4-7(12(14)15)5-2-1-3-11-8(5)9(6)13/h1-4,13H | 定義日: | 2019-12-10 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 7-chloranyl-5-nitro-quinolin-8-ol |
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| EC3 | 表記: | 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one | 組成式: | C14 H13 Cl N2 O2 | SMILES: | Oc1c(CN2CCCC2=O)cc(Cl)c3cccnc13 | InChi: | InChI=1S/C14H13ClN2O2/c15-11-7-9(8-17-6-2-4-12(17)18)14(19)13-10(11)3-1-5-16-13/h1,3,5,7,19H,2,4,6,8H2 | 定義日: | 2019-12-10 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one |
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| ECU | 表記: | 2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol | 組成式: | C12 H9 Br N4 O | SMILES: | Nc1cc(n2ccnc2)c3ccc(Br)c(O)c3n1 | InChi: | InChI=1S/C12H9BrN4O/c13-8-2-1-7-9(17-4-3-15-6-17)5-10(14)16-11(7)12(8)18/h1-6,18H,(H2,14,16) | 定義日: | 2019-12-10 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol |
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| FGX | 表記: | [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium | 組成式: | C28 H31 B N5 O9 P S | SMILES: | CC(=O)CSc1ccc(cc1)[CH](O)c2ccc3CC[B-]4(O[CH]5[CH](CO[P+](O)(O)O)O[CH]([CH]5O4)n6cnc7c(N)ncnc67)c3c2 | InChi: | InChI=1S/C28H31BN5O9PS/c1-15(35)12-45-19-6-4-17(5-7-19)23(36)18-3-2-16-8-9-29(20(16)10-18)42-24-21(11-40-44(37,38)39)41-28(25(24)43-29)34-14-33-22-26(30)31-13-32-27(22)34/h2-7,10,13-14,21,23-25,28,36-39H,8-9,11-12H2,1H3,(H2,30,31,32)/t21-,23+,24-,25+,28+,29+/m0/s1 | 定義日: | 2020-05-12 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium |
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| 5GK | 表記: | 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one | 組成式: | C23 H28 F3 N3 O | SMILES: | C1(NC=C(C=C1)CN4CCN(C3CCC(c2cc(ccc2)C(F)(F)F)CC3)CC4)=O | InChi: | InChI=1S/C23H28F3N3O/c24-23(25,26)20-3-1-2-19(14-20)18-5-7-21(8-6-18)29-12-10-28(11-13-29)16-17-4-9-22(30)27-15-17/h1-4,9,14-15,18,21H,5-8,10-13,16H2,(H,27,30)/t18-,21+ | 定義日: | 2020-09-16 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one |
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| WG4 | 表記: | N-(5-{[(5S)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide | 組成式: | C20 H25 N7 O S | SMILES: | CC(=O)Nc1sc(cn1)CN5CCC2(CN(CC2)c4cc(C)n3ccnc3n4)C5 | InChi: | InChI=1S/C20H25N7OS/c1-14-9-17(24-18-21-5-8-27(14)18)26-7-4-20(13-26)3-6-25(12-20)11-16-10-22-19(29-16)23-15(2)28/h5,8-10H,3-4,6-7,11-13H2,1-2H3,(H,22,23,28)/t20-/m0/s1 | 定義日: | 2020-10-28 | 最終更新日: | 2020-11-27 | 公開日: | 2020-12-02 | 識別子(ID): | N-(5-{[(5S)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide |
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| X1A | 表記: | N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide | 組成式: | C18 H22 N8 O S | SMILES: | C(Nc1sc(cn1)CN2CC5(C2)CN(c3n4c(nc(c3)C)ncn4)CC5)(=O)C | InChi: | InChI=1S/C18H22N8OS/c1-12-5-15(26-16(22-12)20-11-21-26)25-4-3-18(10-25)8-24(9-18)7-14-6-19-17(28-14)23-13(2)27/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,23,27) | 定義日: | 2020-11-20 | 最終更新日: | 2020-11-27 | 公開日: | 2020-12-02 | 識別子(ID): | N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide |
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| X3P | 表記: | [(2~{R})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate | 組成式: | C25 H51 N O8 P | SMILES: | CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC)CO[P](O)(=O)OCC[N](C)(C)C | InChi: | InChI=1S/C25H51NO8P/c1-6-8-10-12-14-16-18-25(28)34-23(21-31-24(27)17-15-13-11-9-7-2)22-33-35(29,30)32-20-19-26(3,4)5/h23H,6-22H2,1-5H3,(H,29,30)/t23-/m1/s1 | 定義日: | 2020-11-24 | 最終更新日: | 2020-11-27 | 公開日: | 2020-12-02 | 識別子(ID): | [(2~{R})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate |
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| J1L | 表記: | 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine | 組成式: | C27 H36 N12 O9 S | SMILES: | C(O)(C4CC(S(CC1C(O)C(C(O1)n2cnc3c2ncnc3N)O)(=O)=O)CCN4CCNC(C=6C(C)(C)NC=5N=C(NC(C=5N=6)=O)N)=O)=O | InChi: | InChI=1S/C27H36N12O9S/c1-27(2)18(34-15-20(37-27)35-26(29)36-22(15)42)23(43)30-4-6-38-5-3-11(7-12(38)25(44)45)49(46,47)8-13-16(40)17(41)24(48-13)39-10-33-14-19(28)31-9-32-21(14)39/h9-13,16-17,24,40-41H,3-8H2,1-2H3,(H,30,43)(H,44,45)(H2,28,31,32)(H4,29,35,36,37,42)/t11-,12-,13-,16-,17-,24-/m1/s1 | 定義日: | 2020-10-09 | 最終更新日: | 2020-11-27 | 公開日: | 2020-12-02 | 識別子(ID): | 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine |
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| OV8 | 表記: | [(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate | 組成式: | C18 H34 N6 O7 S | SMILES: | CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CN)nn2)[CH](O)[CH]1O | InChi: | InChI=1S/C18H34N6O7S/c1-11(2)6-14(20)18(27)22-32(28,29)31-10-15-17(26)16(25)12(9-30-15)4-3-5-24-8-13(7-19)21-23-24/h8,11-12,14-17,25-26H,3-7,9-10,19-20H2,1-2H3,(H,22,27)/t12-,14+,15-,16+,17-/m1/s1 | 定義日: | 2020-04-06 | 最終更新日: | 2020-11-27 | 公開日: | 2020-12-02 | 識別子(ID): | [(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
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| OVB | 表記: | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate | 組成式: | C24 H34 F3 N5 O8 S | SMILES: | CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(nn2)c3ccc(OC(F)(F)F)cc3)[CH](O)[CH]1O | InChi: | InChI=1S/C24H34F3N5O8S/c1-14(2)10-18(28)23(35)30-41(36,37)39-13-20-22(34)21(33)16(12-38-20)4-3-9-32-11-19(29-31-32)15-5-7-17(8-6-15)40-24(25,26)27/h5-8,11,14,16,18,20-22,33-34H,3-4,9-10,12-13,28H2,1-2H3,(H,30,35)/t16-,18+,20-,21+,22-/m1/s1 | 定義日: | 2020-04-06 | 最終更新日: | 2020-11-27 | 公開日: | 2020-12-02 | 識別子(ID): | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
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| OVH | 表記: | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate | 組成式: | C23 H35 N5 O7 S | SMILES: | CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(nn2)c3ccccc3)[CH](O)[CH]1O | InChi: | InChI=1S/C23H35N5O7S/c1-15(2)11-18(24)23(31)26-36(32,33)35-14-20-22(30)21(29)17(13-34-20)9-6-10-28-12-19(25-27-28)16-7-4-3-5-8-16/h3-5,7-8,12,15,17-18,20-22,29-30H,6,9-11,13-14,24H2,1-2H3,(H,26,31)/t17-,18+,20-,21+,22-/m1/s1 | 定義日: | 2020-04-06 | 最終更新日: | 2020-11-27 | 公開日: | 2020-12-02 | 識別子(ID): | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
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| OVK | 表記: | [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate | 組成式: | C20 H30 N6 O7 S | SMILES: | CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH](CCn2nnc(n2)c3ccccc3)[CH](O)[CH]1O | InChi: | InChI=1S/C20H30N6O7S/c1-12(2)10-14(21)20(29)24-34(30,31)32-11-16-18(28)17(27)15(33-16)8-9-26-23-19(22-25-26)13-6-4-3-5-7-13/h3-7,12,14-18,27-28H,8-11,21H2,1-2H3,(H,24,29)/t14-,15-,16+,17-,18+/m0/s1 | 定義日: | 2020-04-06 | 最終更新日: | 2020-11-27 | 公開日: | 2020-12-02 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
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| OVN | 表記: | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-oxidanylbutyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate | 組成式: | C21 H39 N5 O8 S | SMILES: | CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CCCCO)nn2)[CH](O)[CH]1O | InChi: | InChI=1S/C21H39N5O8S/c1-14(2)10-17(22)21(30)24-35(31,32)34-13-18-20(29)19(28)15(12-33-18)6-5-8-26-11-16(23-25-26)7-3-4-9-27/h11,14-15,17-20,27-29H,3-10,12-13,22H2,1-2H3,(H,24,30)/t15-,17+,18-,19+,20-/m1/s1 | 定義日: | 2020-04-06 | 最終更新日: | 2020-11-27 | 公開日: | 2020-12-02 | 識別子(ID): | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-oxidanylbutyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
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