methyl N-[1-[[5-[[3,3-dimethyl-2-[3-[(2-methylpyridin-3-yl)methyl]-2-oxidanylidene-imidazolidin-1-yl]butanoyl]amino]-4-oxidanyl-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: methyl N-[1-[[5-[[3,3-dimethyl-2-[3-[(2-methylpyridin-3-yl)methyl]-2-oxidanylidene-imidazolidin-1-yl]butanoyl]amino]-4-oxidanyl-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: methyl N-[1-[[4-[[3,3-dimethyl-2-[3-[(2-methyl-3-pyridyl)methyl]-2-oxo-imidazolidin-1-yl]butanoyl]amino]-3-hydroxy-5-phenyl-1-[[4-(2-pyridyl)phenyl]methyl]pentyl]carbamoyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[1-[[5-[[3,3-dimethyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxo-1-imidazolidinyl]-1-oxobutyl]amino]-4-hydroxy-6-phenyl-1-[4-(2-pyridinyl)phenyl]hexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[[5-[[3,3-dimethyl-2-[3-[(2-methylpyridin-3-yl)methyl]-2-oxoimidazolidin-1-yl]butanoyl]amino]-4-hydroxy-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[[3-hydroxy-4-[[2-[2-keto-3-[(2-methyl-3-pyridyl)methyl]imidazolidin-1-yl]-3,3-dimethyl-butanoyl]amino]-5-phenyl-1-[4-(2-pyridyl)benzyl]pentyl]carbamoyl]-2,2-dimethyl-propyl]carbamic acid methyl ester Formula: C47H61N7O6 MolecularWeight: 820.03054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)CN2CCN(C2=O)C(C(=O)NC(CC3=CC=CC=C3)C(CC(CC4=CC=C(C=C4)C5=CC=CC=N5)NC(=O)C(C(C)(C)C)NC(=O)OC)O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC=N1)CN2CCN(C2=O)C(C(=O)NC(CC3=CC=CC=C3)C(CC(CC4=CC=C(C=C4)C5=CC=CC=N5)NC(=O)C(C(C)(C)C)NC(=O)OC)O)C(C)(C)C

InChI

InChI=1S/C47H61N7O6/c1-31-35(17-14-24-48-31)30-53-25-26-54(45(53)59)41(47(5,6)7)43(57)51-38(28-32-15-10-9-11-16-32)39(55)29-36(50-42(56)40(46(2,3)4)52-44(58)60-8)27-33-19-21-34(22-20-33)37-18-12-13-23-49-37/h9-24,36,38-41,55H,25-30H2,1-8H3,(H,50,56)(H,51,57)(H,52,58)