tert-butyl 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: tert-butyl 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: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C34H40N4O5 MolecularWeight: 584.7052

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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)OC(C)(C)C)C4=CC=CC=C4

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)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C34H40N4O5/c1-22-16-17-27-28(18-22)38(21-29(39)33(2,3)4)30(40)26(20-37(27)25-14-9-8-10-15-25)36-32(42)35-24-13-11-12-23(19-24)31(41)43-34(5,6)7/h8-19,26H,20-21H2,1-7H3,(H2,35,36,42)