(phenylmethyl) N-[2-oxidanylidene-1-[2-oxidanylidene-2-(1-oxidanylidenebutan-2-ylamino)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[2-oxidanylidene-1-[2-oxidanylidene-2-(1-oxidanylidenebutan-2-ylamino)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-[2-(1-formylpropylamino)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[2-oxo-1-[2-oxo-2-(1-oxobutan-2-ylamino)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-oxo-1-[2-oxo-2-(1-oxobutan-2-ylamino)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-[2-(1-formylpropylamino)-2-keto-ethyl]-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C29H28N4O5 MolecularWeight: 512.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=O)NC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C=O)NC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H28N4O5/c1-2-22(18-34)30-25(35)17-33-24-16-10-9-15-23(24)26(21-13-7-4-8-14-21)31-27(28(33)36)32-29(37)38-19-20-11-5-3-6-12-20/h3-16,18,22,27H,2,17,19H2,1H3,(H,30,35)(H,32,37)