3-[[5-oxidanylidene-1-[3-(phenethylcarbamoyl)phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[5-oxidanylidene-1-[3-(phenethylcarbamoyl)phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[5-oxo-1-[3-(phenethylcarbamoyl)phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[3-[oxo-(phenethylamino)methyl]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[5-oxo-1-[3-(phenethylcarbamoyl)phenyl]pyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[5-keto-1-[3-(phenethylcarbamoyl)phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1C(CN(C1=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C28H28N4O5/c33-25-15-22(28(37)31-24(16-26(34)35)21-9-5-12-29-17-21)18-32(25)23-10-4-8-20(14-23)27(36)30-13-11-19-6-2-1-3-7-19/h1-10,12,14,17,22,24H,11,13,15-16,18H2,(H,30,36)(H,31,37)(H,34,35)