3-[[2-oxidanylidene-1-[3-[3,3,3-tris(fluoranyl)propylcarbamoylamino]phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[2-oxidanylidene-1-[3-[3,3,3-tris(fluoranyl)propylcarbamoylamino]phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-oxo-1-[3-(3,3,3-trifluoropropylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[2-oxo-1-[3-[[oxo-(3,3,3-trifluoropropylamino)methyl]amino]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-oxo-1-[3-(3,3,3-trifluoropropylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-keto-1-[3-(3,3,3-trifluoropropylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C23H24F3N5O5 MolecularWeight: 507.46237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1C(=O)NC(CC(=O)O)C2=CN=CC=C2)C3=CC(=CC=C3)NC(=O)NCCC(F)(F)F

Isomeric SMILES

C1CN(C(=O)C1C(=O)NC(CC(=O)O)C2=CN=CC=C2)C3=CC(=CC=C3)NC(=O)NCCC(F)(F)F

InChI

InChI=1S/C23H24F3N5O5/c24-23(25,26)7-9-28-22(36)29-15-4-1-5-16(11-15)31-10-6-17(21(31)35)20(34)30-18(12-19(32)33)14-3-2-8-27-13-14/h1-5,8,11,13,17-18H,6-7,9-10,12H2,(H,30,34)(H,32,33)(H2,28,29,36)