tert-butyl 4,4-dimethyl-2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-1-propyl-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4,4-dimethyl-2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-1-propyl-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[3-(benzyloxycarbonylamino)-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl]-4,4-dimethyl-piperidine-1-carboxylate CAS Name: 4,4-dimethyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-propyl-3H-1,4-benzodiazepin-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4,4-dimethyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-propyl-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-1-propyl-3H-1,4-benzodiazepin-5-yl]-4,4-dimethyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C32H42N4O5 MolecularWeight: 562.69968

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4CC(CCN4C(=O)OC(C)(C)C)(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4CC(CCN4C(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C32H42N4O5/c1-7-18-35-24-16-12-11-15-23(24)26(25-20-32(5,6)17-19-36(25)30(39)41-31(2,3)4)33-27(28(35)37)34-29(38)40-21-22-13-9-8-10-14-22/h8-16,25,27H,7,17-21H2,1-6H3,(H,34,38)