(phenylmethyl) 5-azanyl-5-oxidanylidene-4-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate

Systemtic Name: (phenylmethyl) 5-azanyl-5-oxidanylidene-4-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate Openeye Name: benzyl 5-amino-4-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-oxo-pentanoate CAS Name: 5-amino-5-oxo-4-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-amino-5-oxo-4-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate Traditional Name: 5-amino-4-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-keto-valeric acid benzyl ester Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H31N3O6/c30-27(34)24(16-17-26(33)37-19-22-12-6-2-7-13-22)31-28(35)25(18-21-10-4-1-5-11-21)32-29(36)38-20-23-14-8-3-9-15-23/h1-15,24-25H,16-20H2,(H2,30,34)(H,31,35)(H,32,36)