3-phenyl-2-[[2-[[2-(2-phenylethanoylamino)phenyl]carbonylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[2-[[2-(2-phenylethanoylamino)phenyl]carbonylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoyl]amino]propanoic acid CAS Name: 2-[[oxo-[2-[[oxo-[2-[(1-oxo-2-phenylethyl)amino]phenyl]methyl]amino]phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoyl]amino]propanoic acid Traditional Name: 3-phenyl-2-[[2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoyl]amino]propionic acid Formula: C31H27N3O5 MolecularWeight: 521.56318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3NC(=O)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C31H27N3O5/c35-28(20-22-13-5-2-6-14-22)32-25-17-9-7-15-23(25)29(36)33-26-18-10-8-16-24(26)30(37)34-27(31(38)39)19-21-11-3-1-4-12-21/h1-18,27H,19-20H2,(H,32,35)(H,33,36)(H,34,37)(H,38,39)