N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C224H260F2N38O29 — CID 157140028

IUPACN-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3cc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)ccc4o3)cc2)[nH]1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)OCn2c-3c(F)c3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)ccc32)[nH]1)C(C)C.CN(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Cc1ccc2[nH]c3c(c2c1)CCc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](c2ccccc2)N(C)C)ccc1-3)c1ccccc1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc3c(c2)OC(C)n2c-3c(F)c3cc(C4=CN=C([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)C4)ccc32)C1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc3c(c2)cc2c4ccc(C5=CN=C([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)C5)cc4nc(C)n32)C1)C(C)C
InChIInChI=1S/C47H52N6O4.C46H54FN7O7.C46H54N8O6.C43H50FN9O6.C42H50N8O6/c1-50(2)43(31-13-7-5-8-14-31)46(56)52-25-11-17-39(52)41(54)28-30-19-24-38-37(27-30)36-22-20-33-29-34(21-23-35(33)42(36)49-38)48-45(55)40-18-12-26-53(40)47(57)44(51(3)4)32-15-9-6-10-16-32;1-24(2)40(50-45(57)59-6)43(55)52-16-8-10-36(52)33-19-29(22-48-33)27-13-15-35-32(18-27)39(47)42-31-14-12-28(21-38(31)61-26(5)54(35)42)30-20-34(49-23-30)37-11-9-17-53(37)44(56)41(25(3)4)51-46(58)60-7;1-25(2)41(50-45(57)59-6)43(55)52-16-8-10-38(52)35-20-31(23-47-35)28-13-15-37-30(18-28)22-40-33-14-12-29(19-34(33)49-27(5)54(37)40)32-21-36(48-24-32)39-11-9-17-53(39)44(56)42(26(3)4)51-46(58)60-7;1-22(2)37(47-24(5)55)42(57)51-14-6-8-32(51)41-46-19-30(49-41)26-10-12-27-34(17-26)59-21-53-31-13-11-25(16-28(31)36(44)39(27)53)29-18-45-40(48-29)33-9-7-15-52(33)43(58)38(23(3)4)50-35(56)20-54;1-23(2)37(45-25(5)52)41(54)49-16-6-8-32(49)39-43-20-30(46-39)26-10-12-27(13-11-26)35-19-29-18-28(14-15-34(29)56-35)31-21-44-40(47-31)33-9-7-17-50(33)42(55)38(24(3)4)48-36(53)22-51/h5-10,13-16,19,21,23-24,27,29,39-40,43-44,49H,11-12,17-18,20,22,25-26,28H2,1-4H3,(H,48,55);12-15,18,21-26,36-37,40-41H,8-11,16-17,19-20H2,1-7H3,(H,50,57)(H,51,58);12-15,18-19,22-26,38-39,41-42H,8-11,16-17,20-21H2,1-7H3,(H,50,57)(H,51,58);10-13,16-19,22-23,32-33,37-38,54H,6-9,14-15,20-21H2,1-5H3,(H,45,48)(H,46,49)(H,47,55)(H,50,56);10-15,18-21,23-24,32-33,37-38,51H,6-9,16-17,22H2,1-5H3,(H,43,46)(H,44,47)(H,45,52)(H,48,53)/t39-,40-,43+,44+;26?,36-,37-,40-,41-;38-,39-,41-,42-;2*32-,33-,37-,38-/m00000/s1
InChIKeyAKBVMNUELIYFDF-URIIEFNOSA-N
MW3986.78 g/mol
LogP31.81
Rot. Bonds54

About N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 157140028) has the molecular formula C224H260F2N38O29 and a molecular weight of 3986.78 g/mol. Its IUPAC name is N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound NameN-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID157140028
Molecular FormulaC224H260F2N38O29
Molecular Weight3986.78 g/mol
Exact Mass3984.00
IUPAC NameN-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3cc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)ccc4o3)cc2)[nH]1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)OCn2c-3c(F)c3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)ccc32)[nH]1)C(C)C.CN(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Cc1ccc2[nH]c3c(c2c1)CCc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](c2ccccc2)N(C)C)ccc1-3)c1ccccc1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc3c(c2)OC(C)n2c-3c(F)c3cc(C4=CN=C([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)C4)ccc32)C1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc3c(c2)cc2c4ccc(C5=CN=C([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)C5)cc4nc(C)n32)C1)C(C)C
InChIInChI=1S/C47H52N6O4.C46H54FN7O7.C46H54N8O6.C43H50FN9O6.C42H50N8O6/c1-50(2)43(31-13-7-5-8-14-31)46(56)52-25-11-17-39(52)41(54)28-30-19-24-38-37(27-30)36-22-20-33-29-34(21-23-35(33)42(36)49-38)48-45(55)40-18-12-26-53(40)47(57)44(51(3)4)32-15-9-6-10-16-32;1-24(2)40(50-45(57)59-6)43(55)52-16-8-10-36(52)33-19-29(22-48-33)27-13-15-35-32(18-27)39(47)42-31-14-12-28(21-38(31)61-26(5)54(35)42)30-20-34(49-23-30)37-11-9-17-53(37)44(56)41(25(3)4)51-46(58)60-7;1-25(2)41(50-45(57)59-6)43(55)52-16-8-10-38(52)35-20-31(23-47-35)28-13-15-37-30(18-28)22-40-33-14-12-29(19-34(33)49-27(5)54(37)40)32-21-36(48-24-32)39-11-9-17-53(39)44(56)42(26(3)4)51-46(58)60-7;1-22(2)37(47-24(5)55)42(57)51-14-6-8-32(51)41-46-19-30(49-41)26-10-12-27-34(17-26)59-21-53-31-13-11-25(16-28(31)36(44)39(27)53)29-18-45-40(48-29)33-9-7-15-52(33)43(58)38(23(3)4)50-35(56)20-54;1-23(2)37(45-25(5)52)41(54)49-16-6-8-32(49)39-43-20-30(46-39)26-10-12-27(13-11-26)35-19-29-18-28(14-15-34(29)56-35)31-21-44-40(47-31)33-9-7-17-50(33)42(55)38(24(3)4)48-36(53)22-51/h5-10,13-16,19,21,23-24,27,29,39-40,43-44,49H,11-12,17-18,20,22,25-26,28H2,1-4H3,(H,48,55);12-15,18,21-26,36-37,40-41H,8-11,16-17,19-20H2,1-7H3,(H,50,57)(H,51,58);12-15,18-19,22-26,38-39,41-42H,8-11,16-17,20-21H2,1-7H3,(H,50,57)(H,51,58);10-13,16-19,22-23,32-33,37-38,54H,6-9,14-15,20-21H2,1-5H3,(H,45,48)(H,46,49)(H,47,55)(H,50,56);10-15,18-21,23-24,32-33,37-38,51H,6-9,16-17,22H2,1-5H3,(H,43,46)(H,44,47)(H,45,52)(H,48,53)/t39-,40-,43+,44+;26?,36-,37-,40-,41-;38-,39-,41-,42-;2*32-,33-,37-,38-/m00000/s1
InChIKeyAKBVMNUELIYFDF-URIIEFNOSA-N
XLogP31.81
TPSA804.64 Ų
H-Bond Donors16
H-Bond Acceptors43
Rotatable Bonds54
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003986.78
LogP ≤ 531.81
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1043

Analyze N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 157140028) is N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is CC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3cc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)ccc4o3)cc2)[nH]1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)OCn2c-3c(F)c3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)ccc32)[nH]1)C(C)C.CN(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Cc1ccc2[nH]c3c(c2c1)CCc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](c2ccccc2)N(C)C)ccc1-3)c1ccccc1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc3c(c2)OC(C)n2c-3c(F)c3cc(C4=CN=C([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)C4)ccc32)C1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc3c(c2)cc2c4ccc(C5=CN=C([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)C5)cc4nc(C)n32)C1)C(C)C.
What is the InChIKey of N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is AKBVMNUELIYFDF-URIIEFNOSA-N. The full InChI is InChI=1S/C47H52N6O4.C46H54FN7O7.C46H54N8O6.C43H50FN9O6.C42H50N8O6/c1-50(2)43(31-13-7-5-8-14-31)46(56)52-25-11-17-39(52)41(54)28-30-19-24-38-37(27-30)36-22-20-33-29-34(21-23-35(33)42(36)49-38)48-45(55)40-18-12-26-53(40)47(57)44(51(3)4)32-15-9-6-10-16-32;1-24(2)40(50-45(57)59-6)43(55)52-16-8-10-36(52)33-19-29(22-48-33)27-13-15-35-32(18-27)39(47)42-31-14-12-28(21-38(31)61-26(5)54(35)42)30-20-34(49-23-30)37-11-9-17-53(37)44(56)41(25(3)4)51-46(58)60-7;1-25(2)41(50-45(57)59-6)43(55)52-16-8-10-38(52)35-20-31(23-47-35)28-13-15-37-30(18-28)22-40-33-14-12-29(19-34(33)49-27(5)54(37)40)32-21-36(48-24-32)39-11-9-17-53(39)44(56)42(26(3)4)51-46(58)60-7;1-22(2)37(47-24(5)55)42(57)51-14-6-8-32(51)41-46-19-30(49-41)26-10-12-27-34(17-26)59-21-53-31-13-11-25(16-28(31)36(44)39(27)53)29-18-45-40(48-29)33-9-7-15-52(33)43(58)38(23(3)4)50-35(56)20-54;1-23(2)37(45-25(5)52)41(54)49-16-6-8-32(49)39-43-20-30(46-39)26-10-12-27(13-11-26)35-19-29-18-28(14-15-34(29)56-35)31-21-44-40(47-31)33-9-7-17-50(33)42(55)38(24(3)4)48-36(53)22-51/h5-10,13-16,19,21,23-24,27,29,39-40,43-44,49H,11-12,17-18,20,22,25-26,28H2,1-4H3,(H,48,55);12-15,18,21-26,36-37,40-41H,8-11,16-17,19-20H2,1-7H3,(H,50,57)(H,51,58);12-15,18-19,22-26,38-39,41-42H,8-11,16-17,20-21H2,1-7H3,(H,50,57)(H,51,58);10-13,16-19,22-23,32-33,37-38,54H,6-9,14-15,20-21H2,1-5H3,(H,45,48)(H,46,49)(H,47,55)(H,50,56);10-15,18-21,23-24,32-33,37-38,51H,6-9,16-17,22H2,1-5H3,(H,43,46)(H,44,47)(H,45,52)(H,48,53)/t39-,40-,43+,44+;26?,36-,37-,40-,41-;38-,39-,41-,42-;2*32-,33-,37-,38-/m00000/s1.
What are the key properties of N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 3986.78 g/mol, XLogP of 31.81, 54 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-12-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[8-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-6,11-dihydro-5H-benzo[a]carbazol-3-yl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[4-[12-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-6-methylindolo[1,2-c]quinazolin-10-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 157140028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).