(phenylmethyl) 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: (phenylmethyl) 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: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C41H44N4O6 MolecularWeight: 688.81126

Click to see the large picture

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)OCC5=CC=CC=C5)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)OCC5=CC=CC=C5)C(=O)CC(C)(C)C

InChI

InChI=1S/C41H44N4O6/c1-26-16-19-34-35(20-26)45(24-36(46)31-15-11-10-12-27(31)2)38(48)33(23-44(34)37(47)22-41(4,5)6)43-40(50)42-30-18-17-28(3)32(21-30)39(49)51-25-29-13-8-7-9-14-29/h7-21,33H,22-25H2,1-6H3,(H2,42,43,50)