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

Systemtic Name: tert-butyl 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: tert-butyl 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[1-cyclohexyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid tert-butyl ester Formula: C33H44N4O5 MolecularWeight: 576.72626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)OC(C)(C)C)C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)OC(C)(C)C)C4CCCCC4

InChI

InChI=1S/C33H44N4O5/c1-32(2,3)28(38)21-37-27-18-11-10-17-26(27)36(24-15-8-7-9-16-24)20-25(29(37)39)35-31(41)34-23-14-12-13-22(19-23)30(40)42-33(4,5)6/h10-14,17-19,24-25H,7-9,15-16,20-21H2,1-6H3,(H2,34,35,41)