5-fluoranyl-4-oxidanylidene-3-[[(2S)-1-[(4-oxidanylidene-1H-quinolin-2-yl)carbonyl]piperidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[(2S)-1-[(4-oxidanylidene-1H-quinolin-2-yl)carbonyl]piperidin-2-yl]carbonylamino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[(2S)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidine-2-carbonyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[oxo-[(2S)-1-[oxo-(4-oxo-1H-quinolin-2-yl)methyl]-2-piperidinyl]methyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[(2S)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidine-2-carbonyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-1-(4-keto-1H-quinoline-2-carbonyl)pipecoloyl]amino]valeric acid Formula: C21H22FN3O6 MolecularWeight: 431.414283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC(CC(=O)O)C(=O)CF)C(=O)C2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)NC(CC(=O)O)C(=O)CF)C(=O)C2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H22FN3O6/c22-11-18(27)14(10-19(28)29)24-20(30)16-7-3-4-8-25(16)21(31)15-9-17(26)12-5-1-2-6-13(12)23-15/h1-2,5-6,9,14,16H,3-4,7-8,10-11H2,(H,23,26)(H,24,30)(H,28,29)/t14?,16-/m0/s1