sodium 2-[(1-phenylcyclopentyl)carbonylamino]-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid

Systemtic Name: sodium 2-[(1-phenylcyclopentyl)carbonylamino]-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid Openeye Name: sodium 2-[(1-phenylcyclopentanecarbonyl)amino]-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid CAS Name: sodium 2-[[oxo-(1-phenylcyclopentyl)methyl]amino]-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: sodium 2-[(1-phenylcyclopentanecarbonyl)amino]-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid Traditional Name: sodium 3-[4-(cinchoninoylamino)phenyl]-2-[(1-phenylcyclopentanecarbonyl)amino]propionic acid Formula: C31H29N3NaO4+ MolecularWeight: 530.56943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)NC(=O)C4=CC=NC5=CC=CC=C45)C(=O)O.[Na+]

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)NC(=O)C4=CC=NC5=CC=CC=C45)C(=O)O.[Na+]

InChI

InChI=1S/C31H29N3O4.Na/c35-28(25-16-19-32-26-11-5-4-10-24(25)26)33-23-14-12-21(13-15-23)20-27(29(36)37)34-30(38)31(17-6-7-18-31)22-8-2-1-3-9-22;/h1-5,8-16,19,27H,6-7,17-18,20H2,(H,33,35)(H,34,38)(H,36,37);/q;+1