3-phenyl-2-[[2-(quinolin-4-ylcarbonylamino)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[2-(quinolin-4-ylcarbonylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[2-(quinoline-4-carbonylamino)benzoyl]amino]propanoic acid CAS Name: 2-[[oxo-[2-[[oxo(4-quinolinyl)methyl]amino]phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[2-(quinoline-4-carbonylamino)benzoyl]amino]propanoic acid Traditional Name: 2-[[2-(cinchoninoylamino)benzoyl]amino]-3-phenyl-propionic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

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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=NC4=CC=CC=C34

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C26H21N3O4/c30-24(19-14-15-27-21-12-6-4-10-18(19)21)28-22-13-7-5-11-20(22)25(31)29-23(26(32)33)16-17-8-2-1-3-9-17/h1-15,23H,16H2,(H,28,30)(H,29,31)(H,32,33)