tert-butyl 3-[[1-cycloheptyl-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-cycloheptyl-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-cycloheptyl-5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-cycloheptyl-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-cycloheptyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[1-cycloheptyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-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:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)OC(C)(C)C)C4CCCCCC4

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)C4CCCCCC4

InChI

InChI=1S/C34H46N4O5/c1-33(2,3)29(39)22-38-28-19-12-11-18-27(28)37(25-16-9-7-8-10-17-25)21-26(30(38)40)36-32(42)35-24-15-13-14-23(20-24)31(41)43-34(4,5)6/h11-15,18-20,25-26H,7-10,16-17,21-22H2,1-6H3,(H2,35,36,42)