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

Systemtic Name: 3-[[5-oxidanylidene-1-[3-[(pyridin-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]carbonylamino]-3-quinolin-3-yl-propanoic acid Openeye Name: 3-[[5-oxo-1-[3-[(2-pyridylamino)methyl]phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-quinolyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[3-[(2-pyridinylamino)methyl]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-quinolinyl)propanoic acid IUPAC Name: 3-[[5-oxo-1-[3-[(pyridin-2-ylamino)methyl]phenyl]pyrrolidine-3-carbonyl]amino]-3-quinolin-3-ylpropanoic acid Traditional Name: 3-[[5-keto-1-[3-[(2-pyridylamino)methyl]phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-quinolyl)propionic acid Formula: C29H27N5O4 MolecularWeight: 509.55578

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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=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1C(CN(C1=O)C2=CC=CC(=C2)CNC3=CC=CC=N3)C(=O)NC(CC(=O)O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C29H27N5O4/c35-27-14-22(18-34(27)23-8-5-6-19(12-23)16-32-26-10-3-4-11-30-26)29(38)33-25(15-28(36)37)21-13-20-7-1-2-9-24(20)31-17-21/h1-13,17,22,25H,14-16,18H2,(H,30,32)(H,33,38)(H,36,37)