(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl) N-[1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl) N-[1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: (2-amino-1-benzyl-2-oxo-ethyl) N-[2-oxo-1-[2-oxo-2-(p-tolyl)ethyl]-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid (1-amino-1-oxo-3-phenylpropan-2-yl) ester IUPAC Name: (1-amino-1-oxo-3-phenylpropan-2-yl) N-[1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[2-keto-1-[2-keto-2-(p-tolyl)ethyl]-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid (2-amino-1-benzyl-2-keto-ethyl) ester Formula: C33H29N5O5 MolecularWeight: 575.61386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OC(CC4=CC=CC=C4)C(=O)N)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OC(CC4=CC=CC=C4)C(=O)N)C5=CC=CC=N5

InChI

InChI=1S/C33H29N5O5/c1-21-14-16-23(17-15-21)27(39)20-38-26-13-6-5-11-24(26)29(25-12-7-8-18-35-25)36-31(32(38)41)37-33(42)43-28(30(34)40)19-22-9-3-2-4-10-22/h2-18,28,31H,19-20H2,1H3,(H2,34,40)(H,37,42)