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

Systemtic Name: 3-[[5-oxidanylidene-1-[3-(3-phenylpropanoylamino)phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[5-oxo-1-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[3-[(1-oxo-3-phenylpropyl)amino]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[5-oxo-1-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[3-(hydrocinnamoylamino)phenyl]-5-keto-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)NC(=O)CCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1C(CN(C1=O)C2=CC(=CC=C2)NC(=O)CCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C28H28N4O5/c33-25(12-11-19-6-2-1-3-7-19)30-22-9-4-10-23(15-22)32-18-21(14-26(32)34)28(37)31-24(16-27(35)36)20-8-5-13-29-17-20/h1-10,13,15,17,21,24H,11-12,14,16,18H2,(H,30,33)(H,31,37)(H,35,36)