[2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoylamino] 4-methylbenzoate

Systemtic Name: [2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoylamino] 4-methylbenzoate Openeye Name: [[2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]acetyl]amino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [[1-oxo-2-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]ethyl]amino] ester IUPAC Name: [[2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [[2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]acetyl]amino] ester Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ONC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)ONC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O6/c1-19-12-14-22(15-13-19)26(33)36-30-24(31)17-28-25(32)23(16-20-8-4-2-5-9-20)29-27(34)35-18-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3,(H,28,32)(H,29,34)(H,30,31)