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

Systemtic Name: tert-butyl 5-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-benzoate Openeye Name: tert-butyl 5-[[5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-benzoate CAS Name: 5-[[[[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]-2-methylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methylbenzoate Traditional Name: 5-[[4-keto-5-(2-keto-3,3-dimethyl-butyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-benzoic acid tert-butyl ester Formula: C34H40N4O5 MolecularWeight: 584.7052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C(C)(C)C)C4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C(C)(C)C)C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

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