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

Systemtic Name: tert-butyl 2-[3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]phenyl]ethanoate Openeye Name: tert-butyl 2-[3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]phenyl]acetate CAS Name: 2-[3-[[[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]phenyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]phenyl]acetate Traditional Name: 2-[3-[[1-cyclohexyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]phenyl]acetic 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)CC(=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)CC(=O)OC(C)(C)C)C4CCCCC4

InChI

InChI=1S/C34H46N4O5/c1-33(2,3)29(39)22-38-28-18-11-10-17-27(28)37(25-15-8-7-9-16-25)21-26(31(38)41)36-32(42)35-24-14-12-13-23(19-24)20-30(40)43-34(4,5)6/h10-14,17-19,25-26H,7-9,15-16,20-22H2,1-6H3,(H2,35,36,42)