tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane

C237H316N40O27S17 — CID 162183691

IUPACtert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane
SMILESC.C.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(/C=C/c4ccc5nc([C@@H]6CCCN6C(=O)OC(C)(C)C)[nH]c5c4)ccc3c2)[nH]1.CC(C)(C)OC(=O)NCc1ncc(-c2ccc(C#Cc3ccc4nc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]c4c3)cc2)[nH]1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#Cc3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](OC(=O)OC)C(C)C)[nH]c4c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(/C=C/c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](C)C(C)C)[nH]c5c4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(C#Cc4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](C)C(C)C)[nH]c5c4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)NCc1ncc(-c2ccc(C#Cc3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](C)C(C)C)[nH]c4c3)cc2)[nH]1)C(C)C.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S
InChIInChI=1S/C43H51N7O4.C43H49N7O4.C40H47N7O7.C40H46N6O4.C36H43N7O4.C33H38N6O4.2CH4.17H2S/c2*1-25(2)27(5)41(51)49-19-8-10-37(49)40-45-33-18-14-29(22-34(33)46-40)12-11-28-13-15-31-23-32(17-16-30(31)21-28)35-24-44-39(47-35)36-9-7-20-50(36)42(52)38(26(3)4)48-43(53)54-6;1-23(2)33(45-39(50)52-5)37(48)46-19-7-9-31(46)35-41-22-30(44-35)27-16-13-25(14-17-27)11-12-26-15-18-28-29(21-26)43-36(42-28)32-10-8-20-47(32)38(49)34(24(3)4)54-40(51)53-6;1-39(2,3)49-37(47)45-19-7-9-33(45)35-41-24-32(44-35)29-17-16-27-21-25(13-15-28(27)23-29)11-12-26-14-18-30-31(22-26)43-36(42-30)34-10-8-20-46(34)38(48)50-40(4,5)6;1-21(2)23(5)35(45)43-17-7-8-30(43)33-40-27-16-13-25(18-28(27)41-33)10-9-24-11-14-26(15-12-24)29-19-37-31(39-29)20-38-34(44)32(22(3)4)42-36(46)47-6;1-32(2,3)42-30(40)35-20-28-34-19-26(36-28)23-14-11-21(12-15-23)9-10-22-13-16-24-25(18-22)38-29(37-24)27-8-7-17-39(27)31(41)43-33(4,5)6;;;;;;;;;;;;;;;;;;;/h11-18,21-27,36-38H,7-10,19-20H2,1-6H3,(H,44,47)(H,45,46)(H,48,53);13-18,21-27,36-38H,7-10,19-20H2,1-6H3,(H,44,47)(H,45,46)(H,48,53);13-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,44)(H,42,43)(H,45,50);11-18,21-24,33-34H,7-10,19-20H2,1-6H3,(H,41,44)(H,42,43);11-16,18-19,21-23,30,32H,7-8,17,20H2,1-6H3,(H,37,39)(H,38,44)(H,40,41)(H,42,46);11-16,18-19,27H,7-8,17,20H2,1-6H3,(H,34,36)(H,35,40)(H,37,38);2*1H4;17*1H2/b12-11+;;;12-11+;;;;;;;;;;;;;;;;;;;;;/t2*27-,36-,37-,38-;31-,32-,33-,34-;33-,34-;23-,30-,32-;27-;;;;;;;;;;;;;;;;;;;/m000000.................../s1
InChIKeyZPJMSQCFCOGOTL-QCNCWUEUSA-N
MW4702.53 g/mol
LogP46.02
Rot. Bonds45

About tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane

tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane (PubChem CID 162183691) has the molecular formula C237H316N40O27S17 and a molecular weight of 4702.53 g/mol. Its IUPAC name is tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane.

Molecular Properties

Compound Nametert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane
PubChem CID162183691
Molecular FormulaC237H316N40O27S17
Molecular Weight4702.53 g/mol
Exact Mass4697.98
IUPAC Nametert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane
SMILESC.C.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(/C=C/c4ccc5nc([C@@H]6CCCN6C(=O)OC(C)(C)C)[nH]c5c4)ccc3c2)[nH]1.CC(C)(C)OC(=O)NCc1ncc(-c2ccc(C#Cc3ccc4nc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]c4c3)cc2)[nH]1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#Cc3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](OC(=O)OC)C(C)C)[nH]c4c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(/C=C/c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](C)C(C)C)[nH]c5c4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(C#Cc4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](C)C(C)C)[nH]c5c4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)NCc1ncc(-c2ccc(C#Cc3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](C)C(C)C)[nH]c4c3)cc2)[nH]1)C(C)C.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S
InChIInChI=1S/C43H51N7O4.C43H49N7O4.C40H47N7O7.C40H46N6O4.C36H43N7O4.C33H38N6O4.2CH4.17H2S/c2*1-25(2)27(5)41(51)49-19-8-10-37(49)40-45-33-18-14-29(22-34(33)46-40)12-11-28-13-15-31-23-32(17-16-30(31)21-28)35-24-44-39(47-35)36-9-7-20-50(36)42(52)38(26(3)4)48-43(53)54-6;1-23(2)33(45-39(50)52-5)37(48)46-19-7-9-31(46)35-41-22-30(44-35)27-16-13-25(14-17-27)11-12-26-15-18-28-29(21-26)43-36(42-28)32-10-8-20-47(32)38(49)34(24(3)4)54-40(51)53-6;1-39(2,3)49-37(47)45-19-7-9-33(45)35-41-24-32(44-35)29-17-16-27-21-25(13-15-28(27)23-29)11-12-26-14-18-30-31(22-26)43-36(42-30)34-10-8-20-46(34)38(48)50-40(4,5)6;1-21(2)23(5)35(45)43-17-7-8-30(43)33-40-27-16-13-25(18-28(27)41-33)10-9-24-11-14-26(15-12-24)29-19-37-31(39-29)20-38-34(44)32(22(3)4)42-36(46)47-6;1-32(2,3)42-30(40)35-20-28-34-19-26(36-28)23-14-11-21(12-15-23)9-10-22-13-16-24-25(18-22)38-29(37-24)27-8-7-17-39(27)31(41)43-33(4,5)6;;;;;;;;;;;;;;;;;;;/h11-18,21-27,36-38H,7-10,19-20H2,1-6H3,(H,44,47)(H,45,46)(H,48,53);13-18,21-27,36-38H,7-10,19-20H2,1-6H3,(H,44,47)(H,45,46)(H,48,53);13-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,44)(H,42,43)(H,45,50);11-18,21-24,33-34H,7-10,19-20H2,1-6H3,(H,41,44)(H,42,43);11-16,18-19,21-23,30,32H,7-8,17,20H2,1-6H3,(H,37,39)(H,38,44)(H,40,41)(H,42,46);11-16,18-19,27H,7-8,17,20H2,1-6H3,(H,34,36)(H,35,40)(H,37,38);2*1H4;17*1H2/b12-11+;;;12-11+;;;;;;;;;;;;;;;;;;;;;/t2*27-,36-,37-,38-;31-,32-,33-,34-;33-,34-;23-,30-,32-;27-;;;;;;;;;;;;;;;;;;;/m000000.................../s1
InChIKeyZPJMSQCFCOGOTL-QCNCWUEUSA-N
XLogP46.02
TPSA831.23 Ų
H-Bond Donors18
H-Bond Acceptors39
Rotatable Bonds45
Heavy Atoms321
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004702.53
LogP ≤ 546.02
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1039

Analyze tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane with MolForge

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Related Compounds

tert-butyl 2-[6-[6-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 76758761
methyl N-[1-[2-[5-[4-[2-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 66620658
methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;dihydrochloride
CID 73441803
methyl N-[1-[(2S)-2-[5-[6-[2-(2-ethyl-3H-benzimidazol-5-yl)ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 122592087
methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58421370
methyl N-[(2R)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 53379070
methyl N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[2-[2-[(2S)-1-[(2S)-2-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 58421344
tert-butyl (2S)-2-[5-[4-[2-[2-[(2S)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;sulfane
CID 159849956
tert-butyl (2S)-2-[5-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 70145351
methyl N-[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 59481518
methyl N-[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 90048897
methoxy N-[(2S)-1-[(2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]methanimidate;sulfane
CID 162035185

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane?
The IUPAC name of tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane (CID 162183691) is tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane.
What is the SMILES notation for tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane?
The canonical SMILES for tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane is C.C.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(/C=C/c4ccc5nc([C@@H]6CCCN6C(=O)OC(C)(C)C)[nH]c5c4)ccc3c2)[nH]1.CC(C)(C)OC(=O)NCc1ncc(-c2ccc(C#Cc3ccc4nc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]c4c3)cc2)[nH]1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#Cc3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](OC(=O)OC)C(C)C)[nH]c4c3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(/C=C/c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](C)C(C)C)[nH]c5c4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(C#Cc4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](C)C(C)C)[nH]c5c4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)NCc1ncc(-c2ccc(C#Cc3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](C)C(C)C)[nH]c4c3)cc2)[nH]1)C(C)C.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.
What is the InChIKey of tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane?
The InChIKey is ZPJMSQCFCOGOTL-QCNCWUEUSA-N. The full InChI is InChI=1S/C43H51N7O4.C43H49N7O4.C40H47N7O7.C40H46N6O4.C36H43N7O4.C33H38N6O4.2CH4.17H2S/c2*1-25(2)27(5)41(51)49-19-8-10-37(49)40-45-33-18-14-29(22-34(33)46-40)12-11-28-13-15-31-23-32(17-16-30(31)21-28)35-24-44-39(47-35)36-9-7-20-50(36)42(52)38(26(3)4)48-43(53)54-6;1-23(2)33(45-39(50)52-5)37(48)46-19-7-9-31(46)35-41-22-30(44-35)27-16-13-25(14-17-27)11-12-26-15-18-28-29(21-26)43-36(42-28)32-10-8-20-47(32)38(49)34(24(3)4)54-40(51)53-6;1-39(2,3)49-37(47)45-19-7-9-33(45)35-41-24-32(44-35)29-17-16-27-21-25(13-15-28(27)23-29)11-12-26-14-18-30-31(22-26)43-36(42-30)34-10-8-20-46(34)38(48)50-40(4,5)6;1-21(2)23(5)35(45)43-17-7-8-30(43)33-40-27-16-13-25(18-28(27)41-33)10-9-24-11-14-26(15-12-24)29-19-37-31(39-29)20-38-34(44)32(22(3)4)42-36(46)47-6;1-32(2,3)42-30(40)35-20-28-34-19-26(36-28)23-14-11-21(12-15-23)9-10-22-13-16-24-25(18-22)38-29(37-24)27-8-7-17-39(27)31(41)43-33(4,5)6;;;;;;;;;;;;;;;;;;;/h11-18,21-27,36-38H,7-10,19-20H2,1-6H3,(H,44,47)(H,45,46)(H,48,53);13-18,21-27,36-38H,7-10,19-20H2,1-6H3,(H,44,47)(H,45,46)(H,48,53);13-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,44)(H,42,43)(H,45,50);11-18,21-24,33-34H,7-10,19-20H2,1-6H3,(H,41,44)(H,42,43);11-16,18-19,21-23,30,32H,7-8,17,20H2,1-6H3,(H,37,39)(H,38,44)(H,40,41)(H,42,46);11-16,18-19,27H,7-8,17,20H2,1-6H3,(H,34,36)(H,35,40)(H,37,38);2*1H4;17*1H2/b12-11+;;;12-11+;;;;;;;;;;;;;;;;;;;;;/t2*27-,36-,37-,38-;31-,32-,33-,34-;33-,34-;23-,30-,32-;27-;;;;;;;;;;;;;;;;;;;/m000000.................../s1.
What are the key properties of tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane?
tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane has a molecular weight of 4702.53 g/mol, XLogP of 46.02, 45 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[6-[2-[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[(E)-2-[6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;[(2S)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] methyl carbonate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[(E)-2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[[5-[4-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane is sourced from PubChem (CID 162183691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).