tert-butyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]-3-oxidanylidene-3-(1H-pyrrol-2-yl)propanoate

Systemtic Name: tert-butyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]-3-oxidanylidene-3-(1H-pyrrol-2-yl)propanoate Openeye Name: tert-butyl 2-[3-(m-tolylcarbamoylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-3-oxo-3-(1H-pyrrol-2-yl)propanoate CAS Name: 2-[3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-3-oxo-3-(1H-pyrrol-2-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-3-oxo-3-(1H-pyrrol-2-yl)propanoate Traditional Name: 3-keto-2-[2-keto-3-(m-tolylcarbamoylamino)-5-phenyl-3H-1,4-benzodiazepin-1-yl]-3-(1H-pyrrol-2-yl)propionic acid tert-butyl ester Formula: C34H33N5O5 MolecularWeight: 591.65632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(C(=O)C5=CC=CN5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(C(=O)C5=CC=CN5)C(=O)OC(C)(C)C

InChI

InChI=1S/C34H33N5O5/c1-21-12-10-15-23(20-21)36-33(43)38-30-31(41)39(28(32(42)44-34(2,3)4)29(40)25-17-11-19-35-25)26-18-9-8-16-24(26)27(37-30)22-13-6-5-7-14-22/h5-20,28,30,35H,1-4H3,(H2,36,38,43)