(phenylmethyl) 2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O6/c30-17-24(29-27(33)35-19-22-14-8-3-9-15-22)25(31)28-23(16-20-10-4-1-5-11-20)26(32)34-18-21-12-6-2-7-13-21/h1-15,23-24,30H,16-19H2,(H,28,31)(H,29,33)