methyl N-[(2S)-1-[(2S)-2-[4-(4'-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-4-yl}-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate dihydrochloride

CAS: 1009119-65-6

Formula: C40H52Cl2N8O6

SMILES: Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC(=CN1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CNC(=N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C

IUPAC: methyl N-[(2S)-1-[(2S)-2-[4-(4'-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-4-yl}-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate dihydrochloride

InChI: InChI=1S/C40H50N8O6.2ClH/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6;;/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44

Composition: C (59.18%), H (6.46%), Cl (8.73%), N (13.80%), O (11.82%)

Molar Mass: 811.81

Atom Count: 108

Heavy Atom Count: 56