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

Systemtic Name: tert-butyl 4-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: tert-butyl 4-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 4-[[[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 4-[[1-cyclohexyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-7-methyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid tert-butyl ester Formula: C34H46N4O5 MolecularWeight: 590.75284

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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=C(C=C3)C(=O)OC(C)(C)C)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)C(=O)OC(C)(C)C)C4CCCCC4

InChI

InChI=1S/C34H46N4O5/c1-22-13-18-27-28(19-22)38(21-29(39)33(2,3)4)30(40)26(20-37(27)25-11-9-8-10-12-25)36-32(42)35-24-16-14-23(15-17-24)31(41)43-34(5,6)7/h13-19,25-26H,8-12,20-21H2,1-7H3,(H2,35,36,42)