methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate

C276H330FN51O38 — CID 160537532

IUPACmethyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate
SMILESCOC(=O)CC(C(=O)N1CCCC1C1=NC=C(c2cc3cc4cc(C5=CN=C(C6CCCN6C(=O)C(CC(=O)CO)C(C)C)C5)[nH]c4cc3[nH]2)C1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(-c3oc4cc5c(F)c(-c6ccc7nc(C8CCCN8C(=O)C(NC(=O)CO)C(C)C)[nH]c7c6)oc5cc4c3C)cc2[nH]1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(C3Cc4cc5c(cc4C3)CC(c3ccc4nc(C6CCCN6C(=O)C(NC(=O)CO)C(C)C)[nH]c4c3)C5)cc2[nH]1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(C3Cc4cc5c(cc4N3)CC(c3ccc4nc(C6CCCN6C(=O)C(NC(=O)CO)C(C)C)[nH]c4c3)C5)cc2[nH]1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(C3Cc4cc5c(cc4N3)NC(c3ccc4nc(C6CCCN6C(=O)C(NC(=O)CO)C(C)C)[nH]c4c3)C5)cc2[nH]1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(N3Cc4cc5c(cc4C3)CN(c3ccc4nc(C6CCCN6C(=O)C(NC(=O)CO)C(C)C)[nH]c4c3)C5)cc2[nH]1)C(C)C
InChIInChI=1S/C48H58N8O6.C47H51FN8O8.C47H57N9O6.2C46H56N10O6.C42H52N6O6/c1-25(2)42(53-41(58)24-57)46(59)55-14-6-8-39(55)44-49-35-12-10-27(22-37(35)51-44)29-16-31-20-33-18-30(19-34(33)21-32(31)17-29)28-11-13-36-38(23-28)52-45(50-36)40-9-7-15-56(40)47(60)43(26(3)4)54-48(61)62-5;1-22(2)39(53-37(58)21-57)45(59)55-15-7-9-33(55)43-50-30-14-12-26(18-32(30)52-43)42-38(48)28-20-35-27(19-36(28)64-42)24(5)41(63-35)25-11-13-29-31(17-25)51-44(49-29)34-10-8-16-56(34)46(60)40(23(3)4)54-47(61)62-6;1-24(2)41(53-40(58)23-57)45(59)55-14-6-8-38(55)43-49-32-12-10-26(19-36(32)51-43)28-16-29-18-31-22-34(48-35(31)21-30(29)17-28)27-11-13-33-37(20-27)52-44(50-33)39-9-7-15-56(39)46(60)42(25(3)4)54-47(61)62-5;1-25(2)40(51-39(58)24-57)44(59)55-14-6-8-37(55)42-47-33-12-10-31(18-35(33)49-42)53-20-27-16-29-22-54(23-30(29)17-28(27)21-53)32-11-13-34-36(19-32)50-43(48-34)38-9-7-15-56(38)45(60)41(26(3)4)52-46(61)62-5;1-23(2)40(53-39(58)22-57)44(59)55-14-6-8-37(55)42-49-29-12-10-25(17-35(29)51-42)31-19-27-16-28-20-32(48-34(28)21-33(27)47-31)26-11-13-30-36(18-26)52-43(50-30)38-9-7-15-56(38)45(60)41(24(3)4)54-46(61)62-5;1-23(2)30(17-29(50)22-49)41(52)47-10-6-8-38(47)36-15-27(20-43-36)32-13-25-12-26-14-33(46-35(26)19-34(25)45-32)28-16-37(44-21-28)39-9-7-11-48(39)42(53)31(24(3)4)18-40(51)54-5/h10-13,20-23,25-26,29-30,39-40,42-43,57H,6-9,14-19,24H2,1-5H3,(H,49,51)(H,50,52)(H,53,58)(H,54,61);11-14,17-20,22-23,33-34,39-40,57H,7-10,15-16,21H2,1-6H3,(H,49,51)(H,50,52)(H,53,58)(H,54,61);10-13,18-21,24-25,28,34,38-39,41-42,48,57H,6-9,14-17,22-23H2,1-5H3,(H,49,51)(H,50,52)(H,53,58)(H,54,61);10-13,16-19,25-26,37-38,40-41,57H,6-9,14-15,20-24H2,1-5H3,(H,47,49)(H,48,50)(H,51,58)(H,52,61);10-13,16-18,21,23-24,31-32,37-38,40-41,47-48,57H,6-9,14-15,19-20,22H2,1-5H3,(H,49,51)(H,50,52)(H,53,58)(H,54,61);12-14,19-21,23-24,30-31,38-39,45-46,49H,6-11,15-18,22H2,1-5H3
InChIKeyQWIUHPDLOHPLGP-UHFFFAOYSA-N
MW4988.99 g/mol
LogP36.55
Rot. Bonds68

About methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate

methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate (PubChem CID 160537532) has the molecular formula C276H330FN51O38 and a molecular weight of 4988.99 g/mol. Its IUPAC name is methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate
PubChem CID160537532
Molecular FormulaC276H330FN51O38
Molecular Weight4988.99 g/mol
Exact Mass4985.54
IUPAC Namemethyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate
SMILESCOC(=O)CC(C(=O)N1CCCC1C1=NC=C(c2cc3cc4cc(C5=CN=C(C6CCCN6C(=O)C(CC(=O)CO)C(C)C)C5)[nH]c4cc3[nH]2)C1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(-c3oc4cc5c(F)c(-c6ccc7nc(C8CCCN8C(=O)C(NC(=O)CO)C(C)C)[nH]c7c6)oc5cc4c3C)cc2[nH]1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(C3Cc4cc5c(cc4C3)CC(c3ccc4nc(C6CCCN6C(=O)C(NC(=O)CO)C(C)C)[nH]c4c3)C5)cc2[nH]1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(C3Cc4cc5c(cc4N3)CC(c3ccc4nc(C6CCCN6C(=O)C(NC(=O)CO)C(C)C)[nH]c4c3)C5)cc2[nH]1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(C3Cc4cc5c(cc4N3)NC(c3ccc4nc(C6CCCN6C(=O)C(NC(=O)CO)C(C)C)[nH]c4c3)C5)cc2[nH]1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(N3Cc4cc5c(cc4C3)CN(c3ccc4nc(C6CCCN6C(=O)C(NC(=O)CO)C(C)C)[nH]c4c3)C5)cc2[nH]1)C(C)C
InChIInChI=1S/C48H58N8O6.C47H51FN8O8.C47H57N9O6.2C46H56N10O6.C42H52N6O6/c1-25(2)42(53-41(58)24-57)46(59)55-14-6-8-39(55)44-49-35-12-10-27(22-37(35)51-44)29-16-31-20-33-18-30(19-34(33)21-32(31)17-29)28-11-13-36-38(23-28)52-45(50-36)40-9-7-15-56(40)47(60)43(26(3)4)54-48(61)62-5;1-22(2)39(53-37(58)21-57)45(59)55-15-7-9-33(55)43-50-30-14-12-26(18-32(30)52-43)42-38(48)28-20-35-27(19-36(28)64-42)24(5)41(63-35)25-11-13-29-31(17-25)51-44(49-29)34-10-8-16-56(34)46(60)40(23(3)4)54-47(61)62-6;1-24(2)41(53-40(58)23-57)45(59)55-14-6-8-38(55)43-49-32-12-10-26(19-36(32)51-43)28-16-29-18-31-22-34(48-35(31)21-30(29)17-28)27-11-13-33-37(20-27)52-44(50-33)39-9-7-15-56(39)46(60)42(25(3)4)54-47(61)62-5;1-25(2)40(51-39(58)24-57)44(59)55-14-6-8-37(55)42-47-33-12-10-31(18-35(33)49-42)53-20-27-16-29-22-54(23-30(29)17-28(27)21-53)32-11-13-34-36(19-32)50-43(48-34)38-9-7-15-56(38)45(60)41(26(3)4)52-46(61)62-5;1-23(2)40(53-39(58)22-57)44(59)55-14-6-8-37(55)42-49-29-12-10-25(17-35(29)51-42)31-19-27-16-28-20-32(48-34(28)21-33(27)47-31)26-11-13-30-36(18-26)52-43(50-30)38-9-7-15-56(38)45(60)41(24(3)4)54-46(61)62-5;1-23(2)30(17-29(50)22-49)41(52)47-10-6-8-38(47)36-15-27(20-43-36)32-13-25-12-26-14-33(46-35(26)19-34(25)45-32)28-16-37(44-21-28)39-9-7-11-48(39)42(53)31(24(3)4)18-40(51)54-5/h10-13,20-23,25-26,29-30,39-40,42-43,57H,6-9,14-19,24H2,1-5H3,(H,49,51)(H,50,52)(H,53,58)(H,54,61);11-14,17-20,22-23,33-34,39-40,57H,7-10,15-16,21H2,1-6H3,(H,49,51)(H,50,52)(H,53,58)(H,54,61);10-13,18-21,24-25,28,34,38-39,41-42,48,57H,6-9,14-17,22-23H2,1-5H3,(H,49,51)(H,50,52)(H,53,58)(H,54,61);10-13,16-19,25-26,37-38,40-41,57H,6-9,14-15,20-24H2,1-5H3,(H,47,49)(H,48,50)(H,51,58)(H,52,61);10-13,16-18,21,23-24,31-32,37-38,40-41,47-48,57H,6-9,14-15,19-20,22H2,1-5H3,(H,49,51)(H,50,52)(H,53,58)(H,54,61);12-14,19-21,23-24,30-31,38-39,45-46,49H,6-11,15-18,22H2,1-5H3
InChIKeyQWIUHPDLOHPLGP-UHFFFAOYSA-N
XLogP36.55
TPSA1157.57 Ų
H-Bond Donors31
H-Bond Acceptors55
Rotatable Bonds68
Heavy Atoms366
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004988.99
LogP ≤ 536.55
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1055

Analyze methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate?
The IUPAC name of methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate (CID 160537532) is methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate.
What is the SMILES notation for methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate?
The canonical SMILES for methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate is COC(=O)CC(C(=O)N1CCCC1C1=NC=C(c2cc3cc4cc(C5=CN=C(C6CCCN6C(=O)C(CC(=O)CO)C(C)C)C5)[nH]c4cc3[nH]2)C1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(-c3oc4cc5c(F)c(-c6ccc7nc(C8CCCN8C(=O)C(NC(=O)CO)C(C)C)[nH]c7c6)oc5cc4c3C)cc2[nH]1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(C3Cc4cc5c(cc4C3)CC(c3ccc4nc(C6CCCN6C(=O)C(NC(=O)CO)C(C)C)[nH]c4c3)C5)cc2[nH]1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(C3Cc4cc5c(cc4N3)CC(c3ccc4nc(C6CCCN6C(=O)C(NC(=O)CO)C(C)C)[nH]c4c3)C5)cc2[nH]1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(C3Cc4cc5c(cc4N3)NC(c3ccc4nc(C6CCCN6C(=O)C(NC(=O)CO)C(C)C)[nH]c4c3)C5)cc2[nH]1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(N3Cc4cc5c(cc4C3)CN(c3ccc4nc(C6CCCN6C(=O)C(NC(=O)CO)C(C)C)[nH]c4c3)C5)cc2[nH]1)C(C)C.
What is the InChIKey of methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate?
The InChIKey is QWIUHPDLOHPLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H58N8O6.C47H51FN8O8.C47H57N9O6.2C46H56N10O6.C42H52N6O6/c1-25(2)42(53-41(58)24-57)46(59)55-14-6-8-39(55)44-49-35-12-10-27(22-37(35)51-44)29-16-31-20-33-18-30(19-34(33)21-32(31)17-29)28-11-13-36-38(23-28)52-45(50-36)40-9-7-15-56(40)47(60)43(26(3)4)54-48(61)62-5;1-22(2)39(53-37(58)21-57)45(59)55-15-7-9-33(55)43-50-30-14-12-26(18-32(30)52-43)42-38(48)28-20-35-27(19-36(28)64-42)24(5)41(63-35)25-11-13-29-31(17-25)51-44(49-29)34-10-8-16-56(34)46(60)40(23(3)4)54-47(61)62-6;1-24(2)41(53-40(58)23-57)45(59)55-14-6-8-38(55)43-49-32-12-10-26(19-36(32)51-43)28-16-29-18-31-22-34(48-35(31)21-30(29)17-28)27-11-13-33-37(20-27)52-44(50-33)39-9-7-15-56(39)46(60)42(25(3)4)54-47(61)62-5;1-25(2)40(51-39(58)24-57)44(59)55-14-6-8-37(55)42-47-33-12-10-31(18-35(33)49-42)53-20-27-16-29-22-54(23-30(29)17-28(27)21-53)32-11-13-34-36(19-32)50-43(48-34)38-9-7-15-56(38)45(60)41(26(3)4)52-46(61)62-5;1-23(2)40(53-39(58)22-57)44(59)55-14-6-8-37(55)42-49-29-12-10-25(17-35(29)51-42)31-19-27-16-28-20-32(48-34(28)21-33(27)47-31)26-11-13-30-36(18-26)52-43(50-30)38-9-7-15-56(38)45(60)41(24(3)4)54-46(61)62-5;1-23(2)30(17-29(50)22-49)41(52)47-10-6-8-38(47)36-15-27(20-43-36)32-13-25-12-26-14-33(46-35(26)19-34(25)45-32)28-16-37(44-21-28)39-9-7-11-48(39)42(53)31(24(3)4)18-40(51)54-5/h10-13,20-23,25-26,29-30,39-40,42-43,57H,6-9,14-19,24H2,1-5H3,(H,49,51)(H,50,52)(H,53,58)(H,54,61);11-14,17-20,22-23,33-34,39-40,57H,7-10,15-16,21H2,1-6H3,(H,49,51)(H,50,52)(H,53,58)(H,54,61);10-13,18-21,24-25,28,34,38-39,41-42,48,57H,6-9,14-17,22-23H2,1-5H3,(H,49,51)(H,50,52)(H,53,58)(H,54,61);10-13,16-19,25-26,37-38,40-41,57H,6-9,14-15,20-24H2,1-5H3,(H,47,49)(H,48,50)(H,51,58)(H,52,61);10-13,16-18,21,23-24,31-32,37-38,40-41,47-48,57H,6-9,14-15,19-20,22H2,1-5H3,(H,49,51)(H,50,52)(H,53,58)(H,54,61);12-14,19-21,23-24,30-31,38-39,45-46,49H,6-11,15-18,22H2,1-5H3.
What are the key properties of methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate?
methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate has a molecular weight of 4988.99 g/mol, XLogP of 36.55, 68 rotatable bonds, 31 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-[6-[3-fluoro-2-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-methylfuro[2,3-f][1]benzofuran-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydrocyclopenta[f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,2,3,5,6,7-hexahydro-s-indacen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[2-[4-[6-[2-[1-(5-hydroxy-4-oxo-2-propan-2-ylpentanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-1,7-dihydropyrrolo[3,2-f]indol-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate is sourced from PubChem (CID 160537532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).