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XUB
XUB
表記:[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](4'-chloro[1,1'-biphenyl]-4-yl)methanone
組成式:C26 H22 Cl N5 O2
SMILES:Clc1ccc(cc1)c1ccc(cc1)C(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C26H22ClN5O2/c27-22-8-5-17(6-9-22)16-1-3-18(4-2-16)25(33)31-12-20-14-32(15-21(20)13-31)26(34)19-7-10-23-24(11-19)29-30-28-23/h1-11,20-21H,12-15H2,(H,28,29,30)
定義日:2023-06-08
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](4'-chloro[1,1'-biphenyl]-4-yl)methanone
Y7X
Y7X
表記:3-bromo-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
組成式:C11 H7 Br F3 N3
SMILES:Brc1nc(cnc1N)c1ccc(cc1)C(F)(F)F
InChi:InChI=1S/C11H7BrF3N3/c12-9-10(16)17-5-8(18-9)6-1-3-7(4-2-6)11(13,14)15/h1-5H,(H2,16,17)
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:3-bromo-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
XUE
XUE
表記:N-[(3-chloro-4-cyanophenyl)methyl]-2-{7-[1-(methoxyacetyl)piperidin-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl}-N-methylacetamide
組成式:C28 H31 Cl N4 O4
SMILES:O=C(COC)N1CCC(CC1)c1ccc2CCN(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)C(=O)c2c1
InChi:InChI=1S/C28H31ClN4O4/c1-31(16-19-3-4-23(15-30)25(29)13-19)26(34)17-33-12-9-21-5-6-22(14-24(21)28(33)36)20-7-10-32(11-8-20)27(35)18-37-2/h3-6,13-14,20H,7-12,16-18H2,1-2H3
定義日:2023-06-08
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:N-[(3-chloro-4-cyanophenyl)methyl]-2-{7-[1-(methoxyacetyl)piperidin-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl}-N-methylacetamide
XFY
XFY
表記:(10S)-N-(3,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
組成式:C17 H15 N5 O2
SMILES:COc1cc(cc(OC)c1)Nc1nc2ccccc2n2cnnc12
InChi:InChI=1S/C17H15N5O2/c1-23-12-7-11(8-13(9-12)24-2)19-16-17-21-18-10-22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20)
定義日:2023-06-06
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(10S)-N-(3,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
XUI
XUI
表記:2-{6-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxoquinazolin-3(4H)-yl}-N-[(3,4-dichlorophenyl)methyl]acetamide
組成式:C27 H29 Cl2 N5 O3
SMILES:O=C(C1CCCC1)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C=Nc2cc1
InChi:InChI=1S/C27H29Cl2N5O3/c28-22-7-5-18(13-23(22)29)15-30-25(35)16-34-17-31-24-8-6-20(14-21(24)27(34)37)32-9-11-33(12-10-32)26(36)19-3-1-2-4-19/h5-8,13-14,17,19H,1-4,9-12,15-16H2,(H,30,35)
定義日:2023-06-08
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:2-{6-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxoquinazolin-3(4H)-yl}-N-[(3,4-dichlorophenyl)methyl]acetamide
XG2
XG2
表記:3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole
組成式:C15 H19 Cl N2 O
SMILES:CC(C)(C)c1cc(Cl)c(C)cc1OCc1cc[NH]n1
InChi:InChI=1S/C15H19ClN2O/c1-10-7-14(19-9-11-5-6-17-18-11)12(8-13(10)16)15(2,3)4/h5-8H,9H2,1-4H3,(H,17,18)
定義日:2023-06-06
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole
Y85
Y85
表記:2-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyridine
組成式:C17 H20 Cl N O
SMILES:CC(C)(C)c1cc(Cl)c(C)cc1OCc1ccccn1
InChi:InChI=1S/C17H20ClNO/c1-12-9-16(14(10-15(12)18)17(2,3)4)20-11-13-7-5-6-8-19-13/h5-10H,11H2,1-4H3
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:2-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyridine
XG6
XG6
表記:[4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate
組成式:C22 H22 F3 N5 O5
SMILES:FC(F)(F)Oc1ccc(cc1)COC(=O)N1CCC(O)(CC1)CNC(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C22H22F3N5O5/c23-22(24,25)35-16-4-1-14(2-5-16)12-34-20(32)30-9-7-21(33,8-10-30)13-26-19(31)15-3-6-17-18(11-15)28-29-27-17/h1-6,11,33H,7-10,12-13H2,(H,26,31)(H,27,28,29)
定義日:2023-06-06
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate
XUO
XUO
表記:(1H-benzotriazol-5-yl){3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6(1H)-yl}methanone
組成式:C26 H29 Cl N6 O2
SMILES:CC(C)(C)c1cc(Cl)c(C)cc1COc1n[NH]c2CCN(CCc12)C(=O)c1ccc2[NH]nnc2c1
InChi:InChI=1S/C26H29ClN6O2/c1-15-11-17(19(13-20(15)27)26(2,3)4)14-35-24-18-7-9-33(10-8-21(18)28-31-24)25(34)16-5-6-22-23(12-16)30-32-29-22/h5-6,11-13H,7-10,14H2,1-4H3,(H,28,31)(H,29,30,32)
定義日:2023-06-08
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(1H-benzotriazol-5-yl){3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6(1H)-yl}methanone
XG9
XG9
表記:4-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyrimidine
組成式:C16 H19 Cl N2 O
SMILES:CC(C)(C)c1cc(Cl)c(C)cc1OCc1ccncn1
InChi:InChI=1S/C16H19ClN2O/c1-11-7-15(13(8-14(11)17)16(2,3)4)20-9-12-5-6-18-10-19-12/h5-8,10H,9H2,1-4H3
定義日:2023-06-06
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:4-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyrimidine
Y8E
Y8E
表記:(1M)-5'-chloro-N-(2-methoxyethyl)-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carboxamide
組成式:C21 H23 Cl N4 O4
SMILES:COCCNC(=O)c1cccc(c1)c1cc(Cl)c(C)cc1OCC1=NNC(=O)N1C
InChi:InChI=1S/C21H23ClN4O4/c1-13-9-18(30-12-19-24-25-21(28)26(19)2)16(11-17(13)22)14-5-4-6-15(10-14)20(27)23-7-8-29-3/h4-6,9-11H,7-8,12H2,1-3H3,(H,23,27)(H,25,28)
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(1M)-5'-chloro-N-(2-methoxyethyl)-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carboxamide
XUT
XUT
表記:[4-(trifluoromethoxy)phenyl]methyl (3aS,6aR)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
組成式:C23 H24 F3 N3 O6 S
SMILES:NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2CN(CC2(C)C1)C(=O)OCc1ccc(OC(F)(F)F)cc1
InChi:InChI=1S/C23H24F3N3O6S/c1-22-13-28(20(30)16-4-8-19(9-5-16)36(27,32)33)10-17(22)11-29(14-22)21(31)34-12-15-2-6-18(7-3-15)35-23(24,25)26/h2-9,17H,10-14H2,1H3,(H2,27,32,33)/t17?,22-/m0/s1
定義日:2023-06-08
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[4-(trifluoromethoxy)phenyl]methyl (3aS,6aR)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
XUX
XUX
表記:2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-1-methyl-1H-imidazole-5-carbonitrile
組成式:C17 H17 Cl N4 O
SMILES:Cn1c(cnc1COc1cc(Cl)c(C#N)cc1C(C)(C)C)C#N
InChi:InChI=1S/C17H17ClN4O/c1-17(2,3)13-5-11(7-19)14(18)6-15(13)23-10-16-21-9-12(8-20)22(16)4/h5-6,9H,10H2,1-4H3
定義日:2023-06-08
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-1-methyl-1H-imidazole-5-carbonitrile
XGI
XGI
表記:5-tert-butyl-2-chloro-4-{[1-methyl-5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)-1H-imidazol-2-yl]methoxy}benzonitrile
組成式:C22 H25 Cl N4 O3
SMILES:O=C(N1CCC21COC2)c1cnc(COc2cc(Cl)c(C#N)cc2C(C)(C)C)n1C
InChi:InChI=1S/C22H25ClN4O3/c1-21(2,3)15-7-14(9-24)16(23)8-18(15)30-11-19-25-10-17(26(19)4)20(28)27-6-5-22(27)12-29-13-22/h7-8,10H,5-6,11-13H2,1-4H3
定義日:2023-06-06
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:5-tert-butyl-2-chloro-4-{[1-methyl-5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)-1H-imidazol-2-yl]methoxy}benzonitrile
Y8K
Y8K
表記:[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
組成式:C23 H24 F3 N3 O6 S
SMILES:NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2CN(CC2(C)C1)C(=O)OCc1ccc(OC(F)(F)F)cc1
InChi:InChI=1S/C23H24F3N3O6S/c1-22-13-28(20(30)16-4-8-19(9-5-16)36(27,32)33)10-17(22)11-29(14-22)21(31)34-12-15-2-6-18(7-3-15)35-23(24,25)26/h2-9,17H,10-14H2,1H3,(H2,27,32,33)/t17?,22-/m1/s1
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
YLU
YLU
表記:(1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide
組成式:C24 H24 F N7 O
SMILES:Cc1ncc(nc1)CNC(=O)c1cc(cc(c1)n1nnnc1CCC)c1ccc(C)cc1F
InChi:InChI=1S/C24H24FN7O/c1-4-5-23-29-30-31-32(23)20-10-17(21-7-6-15(2)8-22(21)25)9-18(11-20)24(33)28-14-19-13-26-16(3)12-27-19/h6-13H,4-5,14H2,1-3H3,(H,28,33)
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide
XV2
XV2
表記:(3aR,8aS)-N-[(1H-1,2,3-triazol-5-yl)methyl]-6-{(2E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carboxamide
組成式:C22 H25 F3 N6 O3
SMILES:O=C(NCc1cnn[NH]1)N1CC2CCN(CCC2C1)C(=O)/C=C/c1ccc(OC(F)(F)F)cc1
InChi:InChI=1S/C22H25F3N6O3/c23-22(24,25)34-19-4-1-15(2-5-19)3-6-20(32)30-9-7-16-13-31(14-17(16)8-10-30)21(33)26-11-18-12-27-29-28-18/h1-6,12,16-17H,7-11,13-14H2,(H,26,33)(H,27,28,29)
定義日:2023-06-08
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(3aR,8aS)-N-[(1H-1,2,3-triazol-5-yl)methyl]-6-{(2E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carboxamide
Y8N
Y8N
表記:BBO-8520 (bound form)
組成式:C35 H35 F6 N7 O2 S
SMILES:CCC(=O)N1CC(C)N(CC1C)c1nc(OCC23CCCN3CC(F)C2)nc2c1cc(c(c1ccc(F)c3sc(N)c(C#N)c13)c2F)C(F)(F)F
InChi:InChI=1S/C35H35F6N7O2S/c1-4-25(49)47-13-18(3)48(14-17(47)2)32-21-10-23(35(39,40)41)27(20-6-7-24(37)30-26(20)22(12-42)31(43)51-30)28(38)29(21)44-33(45-32)50-16-34-8-5-9-46(34)15-19(36)11-34/h6-7,10,17-19H,4-5,8-9,11,13-16,43H2,1-3H3/t17-,18+,19-,34+/m1/s1
別名:(4P)-2-amino-4-{4-[(2S,5R)-2,5-dimethyl-4-propanoylpiperazin-1-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile
定義日:2023-11-28
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(4P)-2-amino-4-{4-[(2S,5R)-2,5-dimethyl-4-propanoylpiperazin-1-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile
XGO
XGO
表記:[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][5-cyclopropyl-6-(cyclopropylmethoxy)pyridin-2-yl]methanone
組成式:C28 H30 N6 O3
SMILES:O=C(c1ccc(C2CC2)c(OCC2CC2)n1)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C28H30N6O3/c35-27(17-5-7-23-25(9-17)31-32-30-23)33-10-19-20(11-33)22-13-34(12-21(19)22)28(36)24-8-6-18(16-3-4-16)26(29-24)37-14-15-1-2-15/h5-9,15-16,19-22H,1-4,10-14H2,(H,30,31,32)
定義日:2023-06-06
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][5-cyclopropyl-6-(cyclopropylmethoxy)pyridin-2-yl]methanone
Y8Q
Y8Q
表記:(3R)-3-{2-[2-methoxy-6-({methyl[(4-methyl-1,3-thiazol-2-yl)methyl]amino}methyl)phenoxy]acetamido}-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
組成式:C27 H31 F3 N4 O4 S
SMILES:Cc1csc(CN(C)Cc2cccc(OC)c2OCC(=O)NC(CC(=O)NC)c2cccc(c2)C(F)(F)F)n1
InChi:InChI=1S/C27H31F3N4O4S/c1-17-16-39-25(32-17)14-34(3)13-19-8-6-10-22(37-4)26(19)38-15-24(36)33-21(12-23(35)31-2)18-7-5-9-20(11-18)27(28,29)30/h5-11,16,21H,12-15H2,1-4H3,(H,31,35)(H,33,36)
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(3R)-3-{2-[2-methoxy-6-({methyl[(4-methyl-1,3-thiazol-2-yl)methyl]amino}methyl)phenoxy]acetamido}-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
XV8
XV8
表記:(4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-nitrobenzamide
組成式:C22 H18 N4 O3
SMILES:CNC(=O)c1ccc(c2cn(Cc3ccccc3)c3ncccc32)c(c1)[N+]([O-])=O
InChi:InChI=1S/C22H18N4O3/c1-23-22(27)16-9-10-17(20(12-16)26(28)29)19-14-25(13-15-6-3-2-4-7-15)21-18(19)8-5-11-24-21/h2-12,14H,13H2,1H3,(H,23,27)
定義日:2023-06-08
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-nitrobenzamide
Y8U
Y8U
表記:tert-butyl (5S,8M,12aR)-8-(4-chloro-2-fluorophenyl)-6,12-dioxo-3,4,6,11,12,12a-hexahydropyrazino[2,1-c][1,4]benzodiazepine-2(1H)-carboxylate
組成式:C23 H23 Cl F N3 O4
SMILES:Clc1ccc(c(F)c1)c1ccc2NC(=O)C3CN(CCN3C(=O)c2c1)C(=O)OC(C)(C)C
InChi:InChI=1S/C23H23ClFN3O4/c1-23(2,3)32-22(31)27-8-9-28-19(12-27)20(29)26-18-7-4-13(10-16(18)21(28)30)15-6-5-14(24)11-17(15)25/h4-7,10-11,19H,8-9,12H2,1-3H3,(H,26,29)/t19-/m1/s1
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:tert-butyl (5S,8M,12aR)-8-(4-chloro-2-fluorophenyl)-6,12-dioxo-3,4,6,11,12,12a-hexahydropyrazino[2,1-c][1,4]benzodiazepine-2(1H)-carboxylate
XVB
XVB
表記:6-[(3aR,6aS)-5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide
組成式:C27 H33 N5 O6 S
SMILES:NS(=O)(=O)c1ccc(nc1)C(=O)N1CC2CN(CC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
InChi:InChI=1S/C27H33N5O6S/c28-39(35,36)22-3-4-23(29-11-22)27(34)32-14-20-12-31(13-21(20)15-32)26(33)19-9-24(18-1-2-18)30-25(10-19)38-16-17-5-7-37-8-6-17/h3-4,9-11,17-18,20-21H,1-2,5-8,12-16H2,(H2,28,35,36)
定義日:2023-06-08
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:6-[(3aR,6aS)-5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide
Y8Z
Y8Z
表記:N-[(1R,3R)-3-{(2S)-2-benzyl-4-[2-(methylamino)-2-oxoethyl]-3-oxopiperazine-1-carbonyl}cyclopentyl]-4-chloro-3-(trifluoromethyl)benzamide
組成式:C28 H30 Cl F3 N4 O4
SMILES:O=C(C1CCC(NC(=O)c2ccc(Cl)c(c2)C(F)(F)F)C1)N1CCN(CC(=O)NC)C(=O)C1Cc1ccccc1
InChi:InChI=1S/C28H30ClF3N4O4/c1-33-24(37)16-35-11-12-36(23(27(35)40)13-17-5-3-2-4-6-17)26(39)19-7-9-20(14-19)34-25(38)18-8-10-22(29)21(15-18)28(30,31)32/h2-6,8,10,15,19-20,23H,7,9,11-14,16H2,1H3,(H,33,37)(H,34,38)/t19-,20-,23?/m1/s1
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:N-[(1R,3R)-3-{(2S)-2-benzyl-4-[2-(methylamino)-2-oxoethyl]-3-oxopiperazine-1-carbonyl}cyclopentyl]-4-chloro-3-(trifluoromethyl)benzamide
XGW
XGW
表記:[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
組成式:C22 H24 F3 N5 O4
SMILES:FC(F)(F)Oc1ccc(cc1)COC(=O)N1CC2CN(CC2C1)C(=O)C1CCc2[NH]nnc2C1
InChi:InChI=1S/C22H24F3N5O4/c23-22(24,25)34-17-4-1-13(2-5-17)12-33-21(32)30-10-15-8-29(9-16(15)11-30)20(31)14-3-6-18-19(7-14)27-28-26-18/h1-2,4-5,14-16H,3,6-12H2,(H,26,27,28)
定義日:2023-06-06
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

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件を2025-10-22に公開中

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