(phenylmethyl) 3-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methyl-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate

Systemtic Name: (phenylmethyl) 3-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methyl-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: benzyl 3-[[5-(3,3-dimethyl-2-oxo-butyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[4-keto-5-(2-keto-3,3-dimethyl-butyl)-7-methyl-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid benzyl ester Formula: C37H38N4O5 MolecularWeight: 618.72142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C(C)(C)C)NC(=O)NC3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C(C)(C)C)NC(=O)NC3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C37H38N4O5/c1-25-18-19-31-32(20-25)41(23-33(42)37(2,3)4)34(43)30(22-40(31)29-16-9-6-10-17-29)39-36(45)38-28-15-11-14-27(21-28)35(44)46-24-26-12-7-5-8-13-26/h5-21,30H,22-24H2,1-4H3,(H2,38,39,45)