(phenylmethyl) 4-azanyl-4-oxidanylidene-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate

Systemtic Name: (phenylmethyl) 4-azanyl-4-oxidanylidene-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate Openeye Name: benzyl 4-amino-3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-oxo-butanoate CAS Name: 4-amino-4-oxo-3-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-amino-4-oxo-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate Traditional Name: 4-amino-3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-keto-butyric acid benzyl ester Formula: C28H29N3O6 MolecularWeight: 503.54636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)OCC2=CC=CC=C2)C(=O)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)OCC2=CC=CC=C2)C(=O)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H29N3O6/c29-26(33)23(17-25(32)36-18-21-12-6-2-7-13-21)30-27(34)24(16-20-10-4-1-5-11-20)31-28(35)37-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H2,29,33)(H,30,34)(H,31,35)