3-[[5-oxidanylidene-1-[3-[(pyridin-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[5-oxidanylidene-1-[3-[(pyridin-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[5-oxo-1-[3-[(2-pyridylamino)methyl]phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[3-[(2-pyridinylamino)methyl]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[5-oxo-1-[3-[(pyridin-2-ylamino)methyl]phenyl]pyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[5-keto-1-[3-[(2-pyridylamino)methyl]phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=CC(=C2)CNC3=CC=CC=N3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1C(CN(C1=O)C2=CC=CC(=C2)CNC3=CC=CC=N3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C25H25N5O4/c31-23-12-19(25(34)29-21(13-24(32)33)18-6-4-9-26-15-18)16-30(23)20-7-3-5-17(11-20)14-28-22-8-1-2-10-27-22/h1-11,15,19,21H,12-14,16H2,(H,27,28)(H,29,34)(H,32,33)