(phenylmethyl) 3-[[3-[4-(phenylmethoxycarbonylamino)butanoylamino]phenyl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[[3-[4-(phenylmethoxycarbonylamino)butanoylamino]phenyl]carbonylamino]propanoate Openeye Name: benzyl 3-[[3-[4-(benzyloxycarbonylamino)butanoylamino]benzoyl]amino]propanoate CAS Name: 3-[[oxo-[3-[[1-oxo-4-(phenylmethoxycarbonylamino)butyl]amino]phenyl]methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[3-[4-(phenylmethoxycarbonylamino)butanoylamino]benzoyl]amino]propanoate Traditional Name: 3-[[3-[4-(benzyloxycarbonylamino)butanoylamino]benzoyl]amino]propionic acid benzyl ester Formula: C29H31N3O6 MolecularWeight: 517.57294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCNC(=O)C2=CC(=CC=C2)NC(=O)CCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCNC(=O)C2=CC(=CC=C2)NC(=O)CCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H31N3O6/c33-26(15-8-17-31-29(36)38-21-23-11-5-2-6-12-23)32-25-14-7-13-24(19-25)28(35)30-18-16-27(34)37-20-22-9-3-1-4-10-22/h1-7,9-14,19H,8,15-18,20-21H2,(H,30,35)(H,31,36)(H,32,33)