5-fluoranyl-4-oxidanylidene-3-[[(2S)-1-[(2-phenyl-1,3-thiazol-4-yl)carbonyl]piperidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[(2S)-1-[(2-phenyl-1,3-thiazol-4-yl)carbonyl]piperidin-2-yl]carbonylamino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[(2S)-1-(2-phenylthiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[oxo-[(2S)-1-[oxo-(2-phenyl-4-thiazolyl)methyl]-2-piperidinyl]methyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-1-(2-phenylthiazole-4-carbonyl)pipecoloyl]amino]valeric acid Formula: C21H22FN3O5S MolecularWeight: 447.479883

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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=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)NC(CC(=O)O)C(=O)CF)C(=O)C2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H22FN3O5S/c22-11-17(26)14(10-18(27)28)23-19(29)16-8-4-5-9-25(16)21(30)15-12-31-20(24-15)13-6-2-1-3-7-13/h1-3,6-7,12,14,16H,4-5,8-11H2,(H,23,29)(H,27,28)/t14?,16-/m0/s1