methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C260H318F10N48O36Si7 — CID 162239893

IUPACmethyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1C2C[Si](C)(C)CC2C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC(F)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6CC(F)(F)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[C@@H](F)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)c(F)c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](F)(F)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)c(F)c2)[nH]1)C(C)C
InChIInChI=1S/C46H58N8O6Si.3C43H52F2N8O6Si.C43H53FN8O6Si.C42H51F3N8O6Si2/c1-25(2)39(50-38(56)22-55)44(57)53-18-8-9-35(53)43-48-33-17-15-30-19-29(14-16-32(30)41(33)51-43)27-10-12-28(13-11-27)34-21-47-42(49-34)36-20-31-23-61(6,7)24-37(31)54(36)45(58)40(26(3)4)52-46(59)60-5;1-22(2)36(49-35(55)19-54)41(56)52-18-27(44)16-33(52)40-47-31-13-10-25-14-24(8-12-29(25)38(31)50-40)28-11-9-26(15-30(28)45)32-17-46-39(48-32)34-20-60(6,7)21-53(34)42(57)37(23(3)4)51-43(58)59-5;1-23(2)35(49-34(55)19-54)40(56)52-21-43(44,45)17-32(52)39-47-30-15-13-28-16-27(12-14-29(28)37(30)50-39)25-8-10-26(11-9-25)31-18-46-38(48-31)33-20-60(6,7)22-53(33)41(57)36(24(3)4)51-42(58)59-5;1-23(2)35(49-34(55)19-54)41(57)53-22-60(6,7)20-33(53)39-47-30-15-13-28-16-27(12-14-29(28)37(30)50-39)25-8-10-26(11-9-25)31-18-46-38(48-31)32-17-43(44,45)21-52(32)40(56)36(24(3)4)51-42(58)59-5;1-23(2)36(48-35(54)20-53)42(56)52-22-59(6,7)21-34(52)40-46-31-15-13-28-16-27(12-14-30(28)38(31)49-40)25-8-10-26(11-9-25)32-18-45-39(47-32)33-17-29(44)19-51(33)41(55)37(24(3)4)50-43(57)58-5;1-22(2)35(49-34(55)17-54)40(56)53-21-61(44,45)19-33(53)39-47-30-13-10-25-14-24(8-12-28(25)37(30)50-39)27-11-9-26(15-29(27)43)31-16-46-38(48-31)32-18-60(6,7)20-52(32)41(57)36(23(3)4)51-42(58)59-5/h10-17,19,21,25-26,31,35-37,39-40,55H,8-9,18,20,22-24H2,1-7H3,(H,47,49)(H,48,51)(H,50,56)(H,52,59);8-15,17,22-23,27,33-34,36-37,54H,16,18-21H2,1-7H3,(H,46,48)(H,47,50)(H,49,55)(H,51,58);2*8-16,18,23-24,32-33,35-36,54H,17,19-22H2,1-7H3,(H,46,48)(H,47,50)(H,49,55)(H,51,58);8-16,18,23-24,29,33-34,36-37,53H,17,19-22H2,1-7H3,(H,45,47)(H,46,49)(H,48,54)(H,50,57);8-16,22-23,32-33,35-36,54H,17-21H2,1-7H3,(H,46,48)(H,47,50)(H,49,55)(H,51,58)/t31?,35-,36-,37?,39-,40-;27-,33+,34+,36+,37+;2*32-,33-,35-,36-;29?,33-,34-,36-,37-;32-,33-,35-,36-/m010000/s1
InChIKeyZWOCMNAWPZPUSC-KWRXGPBASA-N
MW5078.29 g/mol
LogP38.14
Rot. Bonds66

About methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 162239893) has the molecular formula C260H318F10N48O36Si7 and a molecular weight of 5078.29 g/mol. Its IUPAC name is methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID162239893
Molecular FormulaC260H318F10N48O36Si7
Molecular Weight5078.29 g/mol
Exact Mass5074.28
IUPAC Namemethyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1C2C[Si](C)(C)CC2C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC(F)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6CC(F)(F)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[C@@H](F)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)c(F)c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](F)(F)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)c(F)c2)[nH]1)C(C)C
InChIInChI=1S/C46H58N8O6Si.3C43H52F2N8O6Si.C43H53FN8O6Si.C42H51F3N8O6Si2/c1-25(2)39(50-38(56)22-55)44(57)53-18-8-9-35(53)43-48-33-17-15-30-19-29(14-16-32(30)41(33)51-43)27-10-12-28(13-11-27)34-21-47-42(49-34)36-20-31-23-61(6,7)24-37(31)54(36)45(58)40(26(3)4)52-46(59)60-5;1-22(2)36(49-35(55)19-54)41(56)52-18-27(44)16-33(52)40-47-31-13-10-25-14-24(8-12-29(25)38(31)50-40)28-11-9-26(15-30(28)45)32-17-46-39(48-32)34-20-60(6,7)21-53(34)42(57)37(23(3)4)51-43(58)59-5;1-23(2)35(49-34(55)19-54)40(56)52-21-43(44,45)17-32(52)39-47-30-15-13-28-16-27(12-14-29(28)37(30)50-39)25-8-10-26(11-9-25)31-18-46-38(48-31)33-20-60(6,7)22-53(33)41(57)36(24(3)4)51-42(58)59-5;1-23(2)35(49-34(55)19-54)41(57)53-22-60(6,7)20-33(53)39-47-30-15-13-28-16-27(12-14-29(28)37(30)50-39)25-8-10-26(11-9-25)31-18-46-38(48-31)32-17-43(44,45)21-52(32)40(56)36(24(3)4)51-42(58)59-5;1-23(2)36(48-35(54)20-53)42(56)52-22-59(6,7)21-34(52)40-46-31-15-13-28-16-27(12-14-30(28)38(31)49-40)25-8-10-26(11-9-25)32-18-45-39(47-32)33-17-29(44)19-51(33)41(55)37(24(3)4)50-43(57)58-5;1-22(2)35(49-34(55)17-54)40(56)53-21-61(44,45)19-33(53)39-47-30-13-10-25-14-24(8-12-28(25)37(30)50-39)27-11-9-26(15-29(27)43)31-16-46-38(48-31)32-18-60(6,7)20-52(32)41(57)36(23(3)4)51-42(58)59-5/h10-17,19,21,25-26,31,35-37,39-40,55H,8-9,18,20,22-24H2,1-7H3,(H,47,49)(H,48,51)(H,50,56)(H,52,59);8-15,17,22-23,27,33-34,36-37,54H,16,18-21H2,1-7H3,(H,46,48)(H,47,50)(H,49,55)(H,51,58);2*8-16,18,23-24,32-33,35-36,54H,17,19-22H2,1-7H3,(H,46,48)(H,47,50)(H,49,55)(H,51,58);8-16,18,23-24,29,33-34,36-37,53H,17,19-22H2,1-7H3,(H,45,47)(H,46,49)(H,48,54)(H,50,57);8-16,22-23,32-33,35-36,54H,17-21H2,1-7H3,(H,46,48)(H,47,50)(H,49,55)(H,51,58)/t31?,35-,36-,37?,39-,40-;27-,33+,34+,36+,37+;2*32-,33-,35-,36-;29?,33-,34-,36-,37-;32-,33-,35-,36-/m010000/s1
InChIKeyZWOCMNAWPZPUSC-KWRXGPBASA-N
XLogP38.14
TPSA1113.84 Ų
H-Bond Donors30
H-Bond Acceptors48
Rotatable Bonds66
Heavy Atoms361
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005078.29
LogP ≤ 538.14
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1048

Analyze methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[3-fluoro-4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58427108
methyl N-[(2S)-1-[(5R)-5-[5-[5-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]thiophen-2-yl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58427130
methyl N-[(2S)-1-[(5R)-5-[5-[6-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-3-pyridinyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58427037
methyl N-[(2S)-1-[(3R)-3-[5-[4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58427184
methyl N-[1-[2-[5-[4-[2-[(2R)-1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-4,4-dimethyl-1,4-azasilinan-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[5-[4-[2-[(2S)-1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-4,4-dimethyl-1,4-azasilinan-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 162086741
methyl N-[(1S)-1-cyclopropyl-2-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-oxoethyl]carbamate
CID 58427119
methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-5-hydroxy-4-oxo-2-propan-2-ylpentanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 90145130
methyl N-[(2S)-1-[(3R)-3-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58427207
methyl N-[(2S)-3-hydroxy-1-[(2S)-2-[5-[4-[2-[(5R)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 123173665
methyl N-[(2S)-1-[(5R)-5-[5-[2-fluoro-4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58427058
methyl N-[(2S)-1-[(5R)-5-[7-[4-[2-[(2S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123834830
methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(5R)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 89467383

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 162239893) is methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is COC(=O)N[C@H](C(=O)N1C2C[Si](C)(C)CC2C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC(F)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6CC(F)(F)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[C@@H](F)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)c(F)c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](F)(F)CN6C(=O)[C@@H](NC(=O)CO)C(C)C)nc54)c3)c(F)c2)[nH]1)C(C)C.
What is the InChIKey of methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is ZWOCMNAWPZPUSC-KWRXGPBASA-N. The full InChI is InChI=1S/C46H58N8O6Si.3C43H52F2N8O6Si.C43H53FN8O6Si.C42H51F3N8O6Si2/c1-25(2)39(50-38(56)22-55)44(57)53-18-8-9-35(53)43-48-33-17-15-30-19-29(14-16-32(30)41(33)51-43)27-10-12-28(13-11-27)34-21-47-42(49-34)36-20-31-23-61(6,7)24-37(31)54(36)45(58)40(26(3)4)52-46(59)60-5;1-22(2)36(49-35(55)19-54)41(56)52-18-27(44)16-33(52)40-47-31-13-10-25-14-24(8-12-29(25)38(31)50-40)28-11-9-26(15-30(28)45)32-17-46-39(48-32)34-20-60(6,7)21-53(34)42(57)37(23(3)4)51-43(58)59-5;1-23(2)35(49-34(55)19-54)40(56)52-21-43(44,45)17-32(52)39-47-30-15-13-28-16-27(12-14-29(28)37(30)50-39)25-8-10-26(11-9-25)31-18-46-38(48-31)33-20-60(6,7)22-53(33)41(57)36(24(3)4)51-42(58)59-5;1-23(2)35(49-34(55)19-54)41(57)53-22-60(6,7)20-33(53)39-47-30-15-13-28-16-27(12-14-29(28)37(30)50-39)25-8-10-26(11-9-25)31-18-46-38(48-31)32-17-43(44,45)21-52(32)40(56)36(24(3)4)51-42(58)59-5;1-23(2)36(48-35(54)20-53)42(56)52-22-59(6,7)21-34(52)40-46-31-15-13-28-16-27(12-14-30(28)38(31)49-40)25-8-10-26(11-9-25)32-18-45-39(47-32)33-17-29(44)19-51(33)41(55)37(24(3)4)50-43(57)58-5;1-22(2)35(49-34(55)17-54)40(56)53-21-61(44,45)19-33(53)39-47-30-13-10-25-14-24(8-12-28(25)37(30)50-39)27-11-9-26(15-29(27)43)31-16-46-38(48-31)32-18-60(6,7)20-52(32)41(57)36(23(3)4)51-42(58)59-5/h10-17,19,21,25-26,31,35-37,39-40,55H,8-9,18,20,22-24H2,1-7H3,(H,47,49)(H,48,51)(H,50,56)(H,52,59);8-15,17,22-23,27,33-34,36-37,54H,16,18-21H2,1-7H3,(H,46,48)(H,47,50)(H,49,55)(H,51,58);2*8-16,18,23-24,32-33,35-36,54H,17,19-22H2,1-7H3,(H,46,48)(H,47,50)(H,49,55)(H,51,58);8-16,18,23-24,29,33-34,36-37,53H,17,19-22H2,1-7H3,(H,45,47)(H,46,49)(H,48,54)(H,50,57);8-16,22-23,32-33,35-36,54H,17-21H2,1-7H3,(H,46,48)(H,47,50)(H,49,55)(H,51,58)/t31?,35-,36-,37?,39-,40-;27-,33+,34+,36+,37+;2*32-,33-,35-,36-;29?,33-,34-,36-,37-;32-,33-,35-,36-/m010000/s1.
What are the key properties of methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 5078.29 g/mol, XLogP of 38.14, 66 rotatable bonds, 30 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(5R)-3,3-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]-3-fluorophenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(5R)-5-[5-[3-fluoro-4-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-4-fluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 162239893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).