benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C363H385BBrN47O38 — CID 159930237

IUPACbenzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N1C(c2ncc(-c3ccc4cc(Br)ccc4c3)[nH]2)C[C@H]2C[C@H]21.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6C[C@H]7C[C@H]7N6)[nH]5)cc4)ccc3c2)[nH]1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C5=CN=C(C6C[C@H]7C[C@H]7N6C(=O)OCc6ccccc6)C5)cc4)ccc3c2)[nH]1.CC1(C)OB(c2ccc(C3=CN=C([C@@H]4C[C@H]5C[C@H]5N4C(=O)OCc4ccccc4)C3)cc2)OC1(C)C.COC(=O)N[C@H](C(=O)N1C(c2ncc(-c3ccc(-c4ccc5cc(-c6cnc(C7C[C@@H]8C[C@@H]8C7)[nH]6)ccc5c4)cc3)[nH]2)C[C@H]2C[C@H]21)C(C)C.COC(=O)N[C@H](C(=O)N1C(c2ncc(-c3ccc(-c4ccc5cc(-c6cnc([C@@H]7C[C@H]8C[C@H]8N7C(=O)OC(C)(C)C)[nH]6)ccc5c4)cc3)[nH]2)C[C@H]2C[C@H]21)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C5=CN=C(C6C[C@H]7C[C@H]7N6)C5)cc4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C5=CN=C(C6C[C@H]7C[C@H]7N6C(=O)OCc6ccccc6)C5)cc4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.O=C(OCc1ccccc1)N1C(C2=NC=C(c3ccc(-c4ccc5cc(-c6cnc(C7C[C@@H]8C[C@@H]8C7)[nH]6)ccc5c4)cc3)C2)C[C@H]2C[C@H]21
InChIInChI=1S/C48H48N6O5.C46H45N5O4.C44H49N7O5.C42H38N4O2.2C40H42N6O3.C37H38N6O2.C29H33BN2O4.C23H24BrN3O2.2C7H13NO4/c1-27(2)44(52-47(56)58-3)46(55)53-40-20-36(40)23-43(53)45-50-25-39(51-45)34-16-15-32-17-31(13-14-33(32)18-34)29-9-11-30(12-10-29)37-19-38(49-24-37)42-22-35-21-41(35)54(42)48(57)59-26-28-7-5-4-6-8-28;1-46(2,3)55-45(53)51-40-21-35(40)23-42(51)43-48-25-38(49-43)33-16-15-31-17-30(13-14-32(31)18-33)28-9-11-29(12-10-28)36-19-37(47-24-36)41-22-34-20-39(34)50(41)44(52)54-26-27-7-5-4-6-8-27;1-23(2)38(49-42(53)55-6)41(52)50-34-17-30(34)19-36(50)39-45-21-32(47-39)25-9-7-24(8-10-25)26-11-12-28-16-29(14-13-27(28)15-26)33-22-46-40(48-33)37-20-31-18-35(31)51(37)43(54)56-44(3,4)5;47-42(48-24-25-4-2-1-3-5-25)46-39-20-34(39)21-40(46)37-19-36(22-43-37)27-8-6-26(7-9-27)28-10-11-30-15-31(13-12-29(30)14-28)38-23-44-41(45-38)35-17-32-16-33(32)18-35;1-21(2)37(45-40(48)49-3)39(47)46-35-17-29(35)18-36(46)38-42-20-34(44-38)27-11-10-25-12-24(8-9-26(25)13-27)22-4-6-23(7-5-22)30-16-32(41-19-30)33-15-28-14-31(28)43-33;1-21(2)36(45-40(48)49-3)39(47)46-34-17-30(34)18-35(46)38-42-19-32(44-38)23-6-4-22(5-7-23)24-8-9-26-13-27(11-10-25(26)12-24)33-20-41-37(43-33)31-15-28-14-29(28)16-31;1-37(2,3)45-36(44)43-32-16-27(32)17-33(43)35-39-19-31(42-35)25-11-10-23-12-22(8-9-24(23)13-25)20-4-6-21(7-5-20)30-18-38-34(41-30)29-15-26-14-28(26)40-29;1-28(2)29(3,4)36-30(35-28)23-12-10-20(11-13-23)22-14-24(31-17-22)26-16-21-15-25(21)32(26)27(33)34-18-19-8-6-5-7-9-19;1-23(2,3)29-22(28)27-19-10-16(19)11-20(27)21-25-12-18(26-21)15-5-4-14-9-17(24)7-6-13(14)8-15;2*1-4(2)5(6(9)10)8-7(11)12-3/h4-18,24-25,27,35-36,40-44H,19-23,26H2,1-3H3,(H,50,51)(H,52,56);4-18,24-25,34-35,39-42H,19-23,26H2,1-3H3,(H,48,49);7-16,21-23,30-31,34-38H,17-20H2,1-6H3,(H,45,47)(H,46,48)(H,49,53);1-15,22-23,32-35,39-40H,16-21,24H2,(H,44,45);4-13,19-21,28-29,31,33,35-37,43H,14-18H2,1-3H3,(H,42,44)(H,45,48);4-13,19-21,28-31,34-36H,14-18H2,1-3H3,(H,41,43)(H,42,44)(H,45,48);4-13,18-19,26-29,32-33,40H,14-17H2,1-3H3,(H,38,41)(H,39,42);5-13,17,21,25-26H,14-16,18H2,1-4H3;4-9,12,16,19-20H,10-11H2,1-3H3,(H,25,26);2*4-5H,1-3H3,(H,8,11)(H,9,10)/t35-,36-,40-,41-,42?,43+,44+;34-,35-,39-,40-,41?,42+;30-,31-,34-,35-,36?,37+,38+;32-,33+,34-,35?,39-,40?;28-,29-,31-,33?,35-,36+,37+;28-,29+,30-,31?,34-,35?,36+;26-,27-,28-,29?,32-,33+;21-,25-,26+;16-,19-,20?;2*5-/m11111111100/s1
InChIKeyNZNUKGUELOHHCH-NNZSVGJUSA-N
MW6105.08 g/mol
LogP71.11
Rot. Bonds66

About benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate

benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 159930237) has the molecular formula C363H385BBrN47O38 and a molecular weight of 6105.08 g/mol. Its IUPAC name is benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID159930237
Molecular FormulaC363H385BBrN47O38
Molecular Weight6105.08 g/mol
Exact Mass6099.89
IUPAC Namebenzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N1C(c2ncc(-c3ccc4cc(Br)ccc4c3)[nH]2)C[C@H]2C[C@H]21.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6C[C@H]7C[C@H]7N6)[nH]5)cc4)ccc3c2)[nH]1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C5=CN=C(C6C[C@H]7C[C@H]7N6C(=O)OCc6ccccc6)C5)cc4)ccc3c2)[nH]1.CC1(C)OB(c2ccc(C3=CN=C([C@@H]4C[C@H]5C[C@H]5N4C(=O)OCc4ccccc4)C3)cc2)OC1(C)C.COC(=O)N[C@H](C(=O)N1C(c2ncc(-c3ccc(-c4ccc5cc(-c6cnc(C7C[C@@H]8C[C@@H]8C7)[nH]6)ccc5c4)cc3)[nH]2)C[C@H]2C[C@H]21)C(C)C.COC(=O)N[C@H](C(=O)N1C(c2ncc(-c3ccc(-c4ccc5cc(-c6cnc([C@@H]7C[C@H]8C[C@H]8N7C(=O)OC(C)(C)C)[nH]6)ccc5c4)cc3)[nH]2)C[C@H]2C[C@H]21)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C5=CN=C(C6C[C@H]7C[C@H]7N6)C5)cc4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C5=CN=C(C6C[C@H]7C[C@H]7N6C(=O)OCc6ccccc6)C5)cc4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.O=C(OCc1ccccc1)N1C(C2=NC=C(c3ccc(-c4ccc5cc(-c6cnc(C7C[C@@H]8C[C@@H]8C7)[nH]6)ccc5c4)cc3)C2)C[C@H]2C[C@H]21
InChIInChI=1S/C48H48N6O5.C46H45N5O4.C44H49N7O5.C42H38N4O2.2C40H42N6O3.C37H38N6O2.C29H33BN2O4.C23H24BrN3O2.2C7H13NO4/c1-27(2)44(52-47(56)58-3)46(55)53-40-20-36(40)23-43(53)45-50-25-39(51-45)34-16-15-32-17-31(13-14-33(32)18-34)29-9-11-30(12-10-29)37-19-38(49-24-37)42-22-35-21-41(35)54(42)48(57)59-26-28-7-5-4-6-8-28;1-46(2,3)55-45(53)51-40-21-35(40)23-42(51)43-48-25-38(49-43)33-16-15-31-17-30(13-14-32(31)18-33)28-9-11-29(12-10-28)36-19-37(47-24-36)41-22-34-20-39(34)50(41)44(52)54-26-27-7-5-4-6-8-27;1-23(2)38(49-42(53)55-6)41(52)50-34-17-30(34)19-36(50)39-45-21-32(47-39)25-9-7-24(8-10-25)26-11-12-28-16-29(14-13-27(28)15-26)33-22-46-40(48-33)37-20-31-18-35(31)51(37)43(54)56-44(3,4)5;47-42(48-24-25-4-2-1-3-5-25)46-39-20-34(39)21-40(46)37-19-36(22-43-37)27-8-6-26(7-9-27)28-10-11-30-15-31(13-12-29(30)14-28)38-23-44-41(45-38)35-17-32-16-33(32)18-35;1-21(2)37(45-40(48)49-3)39(47)46-35-17-29(35)18-36(46)38-42-20-34(44-38)27-11-10-25-12-24(8-9-26(25)13-27)22-4-6-23(7-5-22)30-16-32(41-19-30)33-15-28-14-31(28)43-33;1-21(2)36(45-40(48)49-3)39(47)46-34-17-30(34)18-35(46)38-42-19-32(44-38)23-6-4-22(5-7-23)24-8-9-26-13-27(11-10-25(26)12-24)33-20-41-37(43-33)31-15-28-14-29(28)16-31;1-37(2,3)45-36(44)43-32-16-27(32)17-33(43)35-39-19-31(42-35)25-11-10-23-12-22(8-9-24(23)13-25)20-4-6-21(7-5-20)30-18-38-34(41-30)29-15-26-14-28(26)40-29;1-28(2)29(3,4)36-30(35-28)23-12-10-20(11-13-23)22-14-24(31-17-22)26-16-21-15-25(21)32(26)27(33)34-18-19-8-6-5-7-9-19;1-23(2,3)29-22(28)27-19-10-16(19)11-20(27)21-25-12-18(26-21)15-5-4-14-9-17(24)7-6-13(14)8-15;2*1-4(2)5(6(9)10)8-7(11)12-3/h4-18,24-25,27,35-36,40-44H,19-23,26H2,1-3H3,(H,50,51)(H,52,56);4-18,24-25,34-35,39-42H,19-23,26H2,1-3H3,(H,48,49);7-16,21-23,30-31,34-38H,17-20H2,1-6H3,(H,45,47)(H,46,48)(H,49,53);1-15,22-23,32-35,39-40H,16-21,24H2,(H,44,45);4-13,19-21,28-29,31,33,35-37,43H,14-18H2,1-3H3,(H,42,44)(H,45,48);4-13,19-21,28-31,34-36H,14-18H2,1-3H3,(H,41,43)(H,42,44)(H,45,48);4-13,18-19,26-29,32-33,40H,14-17H2,1-3H3,(H,38,41)(H,39,42);5-13,17,21,25-26H,14-16,18H2,1-4H3;4-9,12,16,19-20H,10-11H2,1-3H3,(H,25,26);2*4-5H,1-3H3,(H,8,11)(H,9,10)/t35-,36-,40-,41-,42?,43+,44+;34-,35-,39-,40-,41?,42+;30-,31-,34-,35-,36?,37+,38+;32-,33+,34-,35?,39-,40?;28-,29-,31-,33?,35-,36+,37+;28-,29+,30-,31?,34-,35?,36+;26-,27-,28-,29?,32-,33+;21-,25-,26+;16-,19-,20?;2*5-/m11111111100/s1
InChIKeyNZNUKGUELOHHCH-NNZSVGJUSA-N
XLogP71.11
TPSA1041.94 Ų
H-Bond Donors21
H-Bond Acceptors54
Rotatable Bonds66
Heavy Atoms450
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006105.08
LogP ≤ 571.11
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1054

Analyze benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-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

Related Compounds

benzyl (1R,5R)-3-[5-[4-[6-[2-[(1R,3S,5R)-2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 135314950
benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 159930238
methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123329634
methyl N-[(2S)-3-methyl-1-oxo-1-[(1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate
CID 123966041
2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-5-(6-bromonaphthalen-2-yl)-1H-imidazole;tert-butyl (1R,3S,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(4-ethynyl-4H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[2-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;bis(methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate)
CID 159028401
methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58498715
5-(6-bromonaphthalen-2-yl)-2-cyclopentyl-1H-imidazole;tert-butyl 2-[5-[4-[6-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-2-phenylacetic acid;4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[2-[5-[6-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 160861562
tert-butyl 3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 66981881
methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,3S,4S)-3-[4-[6-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-3H-pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate
CID 159425335
methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-isocyano-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate
CID 158766832
5-(6-bromonaphthalen-2-yl)-2-cyclopentyl-1H-imidazole;1-(4-bromophenyl)-2-chloroethanone;tert-butyl (6S)-6-[4-(4-bromophenyl)-1H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(6S)-6-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(1R)-2-[(2S)-2-[5-[6-[4-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 161100982
tert-butyl (6S)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]butan-2-yl]carbamate
CID 159016048

Frequently Asked Questions

What is the IUPAC name of benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 159930237) is benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)(C)OC(=O)N1C(c2ncc(-c3ccc4cc(Br)ccc4c3)[nH]2)C[C@H]2C[C@H]21.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6C[C@H]7C[C@H]7N6)[nH]5)cc4)ccc3c2)[nH]1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C5=CN=C(C6C[C@H]7C[C@H]7N6C(=O)OCc6ccccc6)C5)cc4)ccc3c2)[nH]1.CC1(C)OB(c2ccc(C3=CN=C([C@@H]4C[C@H]5C[C@H]5N4C(=O)OCc4ccccc4)C3)cc2)OC1(C)C.COC(=O)N[C@H](C(=O)N1C(c2ncc(-c3ccc(-c4ccc5cc(-c6cnc(C7C[C@@H]8C[C@@H]8C7)[nH]6)ccc5c4)cc3)[nH]2)C[C@H]2C[C@H]21)C(C)C.COC(=O)N[C@H](C(=O)N1C(c2ncc(-c3ccc(-c4ccc5cc(-c6cnc([C@@H]7C[C@H]8C[C@H]8N7C(=O)OC(C)(C)C)[nH]6)ccc5c4)cc3)[nH]2)C[C@H]2C[C@H]21)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C5=CN=C(C6C[C@H]7C[C@H]7N6)C5)cc4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C5=CN=C(C6C[C@H]7C[C@H]7N6C(=O)OCc6ccccc6)C5)cc4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.O=C(OCc1ccccc1)N1C(C2=NC=C(c3ccc(-c4ccc5cc(-c6cnc(C7C[C@@H]8C[C@@H]8C7)[nH]6)ccc5c4)cc3)C2)C[C@H]2C[C@H]21.
What is the InChIKey of benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is NZNUKGUELOHHCH-NNZSVGJUSA-N. The full InChI is InChI=1S/C48H48N6O5.C46H45N5O4.C44H49N7O5.C42H38N4O2.2C40H42N6O3.C37H38N6O2.C29H33BN2O4.C23H24BrN3O2.2C7H13NO4/c1-27(2)44(52-47(56)58-3)46(55)53-40-20-36(40)23-43(53)45-50-25-39(51-45)34-16-15-32-17-31(13-14-33(32)18-34)29-9-11-30(12-10-29)37-19-38(49-24-37)42-22-35-21-41(35)54(42)48(57)59-26-28-7-5-4-6-8-28;1-46(2,3)55-45(53)51-40-21-35(40)23-42(51)43-48-25-38(49-43)33-16-15-31-17-30(13-14-32(31)18-33)28-9-11-29(12-10-28)36-19-37(47-24-36)41-22-34-20-39(34)50(41)44(52)54-26-27-7-5-4-6-8-27;1-23(2)38(49-42(53)55-6)41(52)50-34-17-30(34)19-36(50)39-45-21-32(47-39)25-9-7-24(8-10-25)26-11-12-28-16-29(14-13-27(28)15-26)33-22-46-40(48-33)37-20-31-18-35(31)51(37)43(54)56-44(3,4)5;47-42(48-24-25-4-2-1-3-5-25)46-39-20-34(39)21-40(46)37-19-36(22-43-37)27-8-6-26(7-9-27)28-10-11-30-15-31(13-12-29(30)14-28)38-23-44-41(45-38)35-17-32-16-33(32)18-35;1-21(2)37(45-40(48)49-3)39(47)46-35-17-29(35)18-36(46)38-42-20-34(44-38)27-11-10-25-12-24(8-9-26(25)13-27)22-4-6-23(7-5-22)30-16-32(41-19-30)33-15-28-14-31(28)43-33;1-21(2)36(45-40(48)49-3)39(47)46-34-17-30(34)18-35(46)38-42-19-32(44-38)23-6-4-22(5-7-23)24-8-9-26-13-27(11-10-25(26)12-24)33-20-41-37(43-33)31-15-28-14-29(28)16-31;1-37(2,3)45-36(44)43-32-16-27(32)17-33(43)35-39-19-31(42-35)25-11-10-23-12-22(8-9-24(23)13-25)20-4-6-21(7-5-20)30-18-38-34(41-30)29-15-26-14-28(26)40-29;1-28(2)29(3,4)36-30(35-28)23-12-10-20(11-13-23)22-14-24(31-17-22)26-16-21-15-25(21)32(26)27(33)34-18-19-8-6-5-7-9-19;1-23(2,3)29-22(28)27-19-10-16(19)11-20(27)21-25-12-18(26-21)15-5-4-14-9-17(24)7-6-13(14)8-15;2*1-4(2)5(6(9)10)8-7(11)12-3/h4-18,24-25,27,35-36,40-44H,19-23,26H2,1-3H3,(H,50,51)(H,52,56);4-18,24-25,34-35,39-42H,19-23,26H2,1-3H3,(H,48,49);7-16,21-23,30-31,34-38H,17-20H2,1-6H3,(H,45,47)(H,46,48)(H,49,53);1-15,22-23,32-35,39-40H,16-21,24H2,(H,44,45);4-13,19-21,28-29,31,33,35-37,43H,14-18H2,1-3H3,(H,42,44)(H,45,48);4-13,19-21,28-31,34-36H,14-18H2,1-3H3,(H,41,43)(H,42,44)(H,45,48);4-13,18-19,26-29,32-33,40H,14-17H2,1-3H3,(H,38,41)(H,39,42);5-13,17,21,25-26H,14-16,18H2,1-4H3;4-9,12,16,19-20H,10-11H2,1-3H3,(H,25,26);2*4-5H,1-3H3,(H,8,11)(H,9,10)/t35-,36-,40-,41-,42?,43+,44+;34-,35-,39-,40-,41?,42+;30-,31-,34-,35-,36?,37+,38+;32-,33+,34-,35?,39-,40?;28-,29-,31-,33?,35-,36+,37+;28-,29+,30-,31?,34-,35?,36+;26-,27-,28-,29?,32-,33+;21-,25-,26+;16-,19-,20?;2*5-/m11111111100/s1.
What are the key properties of benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 6105.08 g/mol, XLogP of 71.11, 66 rotatable bonds, 21 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 159930237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).