(phenylmethyl) 3-[[3-[3-(phenylmethoxycarbonylamino)propanoylamino]phenyl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[[3-[3-(phenylmethoxycarbonylamino)propanoylamino]phenyl]carbonylamino]propanoate Openeye Name: benzyl 3-[[3-[3-(benzyloxycarbonylamino)propanoylamino]benzoyl]amino]propanoate CAS Name: 3-[[oxo-[3-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]phenyl]methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[3-[3-(phenylmethoxycarbonylamino)propanoylamino]benzoyl]amino]propanoate Traditional Name: 3-[[3-[3-(benzyloxycarbonylamino)propanoylamino]benzoyl]amino]propionic acid benzyl ester Formula: C28H29N3O6 MolecularWeight: 503.54636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O6/c32-25(14-16-30-28(35)37-20-22-10-5-2-6-11-22)31-24-13-7-12-23(18-24)27(34)29-17-15-26(33)36-19-21-8-3-1-4-9-21/h1-13,18H,14-17,19-20H2,(H,29,34)(H,30,35)(H,31,32)