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methyl N-{1-[2-(4-{4'-[2-(1-{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

methyl N-{1-[2-(4-{4'-[2-(1-{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

CAS: 1009119-64-5

Formula: C40H50N8O6

SMILES: COC(=O)NC(C(C)C)C(=O)N1CCCC1C1=NC(=CN1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CNC(=N1)C1CCCN1C(=O)C(NC(=O)OC)C(C)C

IUPAC: methyl N-{1-[2-(4-{4'-[2-(1-{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

InChI: InChI=1/C40H50N8O6/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)(H,45,5

Composition: C (65.02%), H (6.82%), N (15.17%), O (12.99%)

Molar Mass: 738.89

Atom Count: 104

Heavy Atom Count: 54

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 4
Exact Mass 738.385331362
Formal Charge 0
FSP3 0.45
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey FKRSSPOQAMALKA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 201.32
Topological Polar Surface Area 174.64
Polarizability 82.07
Ring Count 6
Rotatable Bond Count 13

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