7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

C197H215BBrF8N25O25 — CID 159599485

IUPAC7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2C1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4ccc5c6c(ccc5c4)N=C([C@@H]4C[C@H](COC(F)F)CN4C(=O)OC(C)(C)C)C6)ccc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4ccc5c6c(ccc5c4)N=C([C@@H]4C[C@H](COC(F)F)CN4C(=O)[C@H](NC(=O)C4CC4)c4ccccc4)C6)ccc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4ccc5c6c(ccc5c4)N=C([C@@H]4C[C@H](COC(F)F)CN4C(=O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C6)ccc32)[nH]1)C(C)C.FC(F)OC[C@@H]1CC[C@H](c2nc3c(ccc4cc(Br)ccc43)[nH]2)C1
InChIInChI=1S/C53H57F2N7O7.C52H53F2N7O6.C45H50F2N6O6.C29H38BN3O5.C18H17BrF2N2O/c1-29(2)44(59-51(65)67-6)48(63)61-22-10-13-42(61)47-57-40-21-17-35-25-33(15-19-37(35)46(40)58-47)32-14-18-36-34(24-32)16-20-39-38(36)26-41(56-39)43-23-30(28-68-50(54)55)27-62(43)49(64)45(31-11-8-7-9-12-31)60-52(66)69-53(3,4)5;1-28(2)44(59-52(65)66-3)49(63)60-21-7-10-42(60)47-56-40-20-16-35-24-33(14-18-37(35)46(40)57-47)32-13-17-36-34(23-32)15-19-39-38(36)25-41(55-39)43-22-29(27-67-51(53)54)26-61(43)50(64)45(30-8-5-4-6-9-30)58-48(62)31-11-12-31;1-24(2)38(51-43(55)57-6)41(54)52-17-7-8-36(52)40-49-34-16-12-29-20-27(10-14-31(29)39(34)50-40)26-9-13-30-28(19-26)11-15-33-32(30)21-35(48-33)37-18-25(23-58-42(46)47)22-53(37)44(56)59-45(3,4)5;1-17(2)25(32-27(35)36-7)26(34)33-14-8-9-24(33)23-16-21-20-12-11-19(15-18(20)10-13-22(21)31-23)30-37-28(3,4)29(5,6)38-30;19-13-4-5-14-11(8-13)3-6-15-16(14)23-17(22-15)12-2-1-10(7-12)9-24-18(20)21/h7-9,11-12,14-21,24-25,29-30,42-45,50H,10,13,22-23,26-28H2,1-6H3,(H,57,58)(H,59,65)(H,60,66);4-6,8-9,13-20,23-24,28-29,31,42-45,51H,7,10-12,21-22,25-27H2,1-3H3,(H,56,57)(H,58,62)(H,59,65);9-16,19-20,24-25,36-38,42H,7-8,17-18,21-23H2,1-6H3,(H,49,50)(H,51,55);10-13,15,17,24-25H,8-9,14,16H2,1-7H3,(H,32,35);3-6,8,10,12,18H,1-2,7,9H2,(H,22,23)/t30-,42-,43-,44-,45+;29-,42-,43-,44-,45+;25-,36-,37-,38-;24-,25-;10-,12+/m00001/s1
InChIKeyMLGZZGBTVOUDNA-GCNBEPLGSA-N
MW3575.74 g/mol
LogP37.68
Rot. Bonds43

About 7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate (PubChem CID 159599485) has the molecular formula C197H215BBrF8N25O25 and a molecular weight of 3575.74 g/mol. Its IUPAC name is 7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Name7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
PubChem CID159599485
Molecular FormulaC197H215BBrF8N25O25
Molecular Weight3575.74 g/mol
Exact Mass3572.55
IUPAC Name7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2C1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4ccc5c6c(ccc5c4)N=C([C@@H]4C[C@H](COC(F)F)CN4C(=O)OC(C)(C)C)C6)ccc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4ccc5c6c(ccc5c4)N=C([C@@H]4C[C@H](COC(F)F)CN4C(=O)[C@H](NC(=O)C4CC4)c4ccccc4)C6)ccc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4ccc5c6c(ccc5c4)N=C([C@@H]4C[C@H](COC(F)F)CN4C(=O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C6)ccc32)[nH]1)C(C)C.FC(F)OC[C@@H]1CC[C@H](c2nc3c(ccc4cc(Br)ccc43)[nH]2)C1
InChIInChI=1S/C53H57F2N7O7.C52H53F2N7O6.C45H50F2N6O6.C29H38BN3O5.C18H17BrF2N2O/c1-29(2)44(59-51(65)67-6)48(63)61-22-10-13-42(61)47-57-40-21-17-35-25-33(15-19-37(35)46(40)58-47)32-14-18-36-34(24-32)16-20-39-38(36)26-41(56-39)43-23-30(28-68-50(54)55)27-62(43)49(64)45(31-11-8-7-9-12-31)60-52(66)69-53(3,4)5;1-28(2)44(59-52(65)66-3)49(63)60-21-7-10-42(60)47-56-40-20-16-35-24-33(14-18-37(35)46(40)57-47)32-13-17-36-34(23-32)15-19-39-38(36)25-41(55-39)43-22-29(27-67-51(53)54)26-61(43)50(64)45(30-8-5-4-6-9-30)58-48(62)31-11-12-31;1-24(2)38(51-43(55)57-6)41(54)52-17-7-8-36(52)40-49-34-16-12-29-20-27(10-14-31(29)39(34)50-40)26-9-13-30-28(19-26)11-15-33-32(30)21-35(48-33)37-18-25(23-58-42(46)47)22-53(37)44(56)59-45(3,4)5;1-17(2)25(32-27(35)36-7)26(34)33-14-8-9-24(33)23-16-21-20-12-11-19(15-18(20)10-13-22(21)31-23)30-37-28(3,4)29(5,6)38-30;19-13-4-5-14-11(8-13)3-6-15-16(14)23-17(22-15)12-2-1-10(7-12)9-24-18(20)21/h7-9,11-12,14-21,24-25,29-30,42-45,50H,10,13,22-23,26-28H2,1-6H3,(H,57,58)(H,59,65)(H,60,66);4-6,8-9,13-20,23-24,28-29,31,42-45,51H,7,10-12,21-22,25-27H2,1-3H3,(H,56,57)(H,58,62)(H,59,65);9-16,19-20,24-25,36-38,42H,7-8,17-18,21-23H2,1-6H3,(H,49,50)(H,51,55);10-13,15,17,24-25H,8-9,14,16H2,1-7H3,(H,32,35);3-6,8,10,12,18H,1-2,7,9H2,(H,22,23)/t30-,42-,43-,44-,45+;29-,42-,43-,44-,45+;25-,36-,37-,38-;24-,25-;10-,12+/m00001/s1
InChIKeyMLGZZGBTVOUDNA-GCNBEPLGSA-N
XLogP37.68
TPSA591.69 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds43
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003575.74
LogP ≤ 537.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze 7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-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

Related Compounds

methyl N-[1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(methoxymethyl)pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 146519337
methyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[(2S,4S)-2-[7-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylsulfanylpyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(1R)-2-[(2S,4S)-2-[7-[2-[(1R,3S,5R)-2-[(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 158694953
methyl N-[(2S)-1-[(2S,4S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-2-phenylacetyl]-4-(methoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]-4-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 161131210
tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-(methoxymethyl)pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-(methoxymethyl)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(1R)-2-[(2S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-(methoxymethyl)pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(methoxymethyl)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 161129093
methyl N-[(1R)-2-[(2S,4S)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67683199
methyl N-[(2S)-1-[(4S)-2-[7-[4-[2-[(2S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 118566042
tert-butyl (2S,4S)-2-(5-bromo-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;molecular hydrogen
CID 161076751
methyl N-[(3S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(methoxymethyl)pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 146519293
tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[17-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 158231530
tert-butyl (2S,4S)-4-(methoxymethyl)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-iodo-1H-imidazole;ethane;methyl N-[(2S,3R)-1-[(2S,4S)-2-[17-(2-cyclopentyl-1H-imidazol-5-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(1R)-2-[(2S)-2-[5-[6-[(2S,4S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]-4-(methoxymethyl)pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S,4S)-4-(methoxymethyl)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 160513848
tert-butyl (2S,4S)-2-[17-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-(methoxymethyl)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;methane;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(2S,4S)-2-(5-bromo-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(1R)-2-[(2S,4S)-2-[17-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 159686458
methyl N-[2-[2-[7-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]-4-methylsulfanylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 77335397

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?
The IUPAC name of 7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate (CID 159599485) is 7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate.
What is the SMILES notation for 7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?
The canonical SMILES for 7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate is COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2C1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4ccc5c6c(ccc5c4)N=C([C@@H]4C[C@H](COC(F)F)CN4C(=O)OC(C)(C)C)C6)ccc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4ccc5c6c(ccc5c4)N=C([C@@H]4C[C@H](COC(F)F)CN4C(=O)[C@H](NC(=O)C4CC4)c4ccccc4)C6)ccc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4ccc5c6c(ccc5c4)N=C([C@@H]4C[C@H](COC(F)F)CN4C(=O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C6)ccc32)[nH]1)C(C)C.FC(F)OC[C@@H]1CC[C@H](c2nc3c(ccc4cc(Br)ccc43)[nH]2)C1.
What is the InChIKey of 7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?
The InChIKey is MLGZZGBTVOUDNA-GCNBEPLGSA-N. The full InChI is InChI=1S/C53H57F2N7O7.C52H53F2N7O6.C45H50F2N6O6.C29H38BN3O5.C18H17BrF2N2O/c1-29(2)44(59-51(65)67-6)48(63)61-22-10-13-42(61)47-57-40-21-17-35-25-33(15-19-37(35)46(40)58-47)32-14-18-36-34(24-32)16-20-39-38(36)26-41(56-39)43-23-30(28-68-50(54)55)27-62(43)49(64)45(31-11-8-7-9-12-31)60-52(66)69-53(3,4)5;1-28(2)44(59-52(65)66-3)49(63)60-21-7-10-42(60)47-56-40-20-16-35-24-33(14-18-37(35)46(40)57-47)32-13-17-36-34(23-32)15-19-39-38(36)25-41(55-39)43-22-29(27-67-51(53)54)26-61(43)50(64)45(30-8-5-4-6-9-30)58-48(62)31-11-12-31;1-24(2)38(51-43(55)57-6)41(54)52-17-7-8-36(52)40-49-34-16-12-29-20-27(10-14-31(29)39(34)50-40)26-9-13-30-28(19-26)11-15-33-32(30)21-35(48-33)37-18-25(23-58-42(46)47)22-53(37)44(56)59-45(3,4)5;1-17(2)25(32-27(35)36-7)26(34)33-14-8-9-24(33)23-16-21-20-12-11-19(15-18(20)10-13-22(21)31-23)30-37-28(3,4)29(5,6)38-30;19-13-4-5-14-11(8-13)3-6-15-16(14)23-17(22-15)12-2-1-10(7-12)9-24-18(20)21/h7-9,11-12,14-21,24-25,29-30,42-45,50H,10,13,22-23,26-28H2,1-6H3,(H,57,58)(H,59,65)(H,60,66);4-6,8-9,13-20,23-24,28-29,31,42-45,51H,7,10-12,21-22,25-27H2,1-3H3,(H,56,57)(H,58,62)(H,59,65);9-16,19-20,24-25,36-38,42H,7-8,17-18,21-23H2,1-6H3,(H,49,50)(H,51,55);10-13,15,17,24-25H,8-9,14,16H2,1-7H3,(H,32,35);3-6,8,10,12,18H,1-2,7,9H2,(H,22,23)/t30-,42-,43-,44-,45+;29-,42-,43-,44-,45+;25-,36-,37-,38-;24-,25-;10-,12+/m00001/s1.
What are the key properties of 7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?
7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate has a molecular weight of 3575.74 g/mol, XLogP of 37.68, 43 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(1S,3R)-3-(difluoromethoxymethyl)cyclopentyl]-3H-benzo[e]benzimidazole;tert-butyl (2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-[(1R)-2-[(2S,4S)-4-(difluoromethoxymethyl)-2-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-1H-benzo[e]indol-7-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[e]indol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate is sourced from PubChem (CID 159599485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).