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

Systemtic Name: tert-butyl 3-oxidanylidene-2-[2-oxidanylidene-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]-3-(1H-pyrrol-2-yl)propanoate Openeye Name: tert-butyl 2-[3-(benzyloxycarbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-3-oxo-3-(1H-pyrrol-2-yl)propanoate CAS Name: 3-oxo-2-[2-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]-3-(1H-pyrrol-2-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-2-[2-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]-3-(1H-pyrrol-2-yl)propanoate Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]-3-keto-3-(1H-pyrrol-2-yl)propionic acid tert-butyl ester Formula: C34H32N4O6 MolecularWeight: 592.64108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)C1=CC=CN1)N2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)C1=CC=CN1)N2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H32N4O6/c1-34(2,3)44-32(41)28(29(39)25-18-12-20-35-25)38-26-19-11-10-17-24(26)27(23-15-8-5-9-16-23)36-30(31(38)40)37-33(42)43-21-22-13-6-4-7-14-22/h4-20,28,30,35H,21H2,1-3H3,(H,37,42)