methyl 5-[[1-(3,3-dimethylbutanoyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-benzoate

Systemtic Name: methyl 5-[[1-(3,3-dimethylbutanoyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-benzoate Openeye Name: methyl 5-[[1-(3,3-dimethylbutanoyl)-7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-benzoate CAS Name: 5-[[[[1-(3,3-dimethyl-1-oxobutyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 5-[[1-(3,3-dimethylbutanoyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methylbenzoate Traditional Name: 5-[[1-(3,3-dimethylbutanoyl)-4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-benzoic acid methyl ester Formula: C35H40N4O6 MolecularWeight: 612.7153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)NC4=CC(=C(C=C4)C)C(=O)OC)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)NC4=CC(=C(C=C4)C)C(=O)OC)C(=O)CC(C)(C)C

InChI

InChI=1S/C35H40N4O6/c1-21-12-15-28-29(16-21)39(20-30(40)25-11-9-8-10-22(25)2)32(42)27(19-38(28)31(41)18-35(4,5)6)37-34(44)36-24-14-13-23(3)26(17-24)33(43)45-7/h8-17,27H,18-20H2,1-7H3,(H2,36,37,44)