3-[[(2S)-1-(3-chloranylthiophen-2-yl)carbonylpiperidin-2-yl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[(2S)-1-(3-chloranylthiophen-2-yl)carbonylpiperidin-2-yl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-1-(3-chlorothiophene-2-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[[(2S)-1-[(3-chloro-2-thiophenyl)-oxomethyl]-2-piperidinyl]-oxomethyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-1-(3-chlorothiophene-2-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-1-(3-chlorothiophene-2-carbonyl)pipecoloyl]amino]-5-fluoro-4-keto-valeric acid Formula: C16H18ClFN2O5S MolecularWeight: 404.840923

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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=C(C=CS2)Cl

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)NC(CC(=O)O)C(=O)CF)C(=O)C2=C(C=CS2)Cl

InChI

InChI=1S/C16H18ClFN2O5S/c17-9-4-6-26-14(9)16(25)20-5-2-1-3-11(20)15(24)19-10(7-13(22)23)12(21)8-18/h4,6,10-11H,1-3,5,7-8H2,(H,19,24)(H,22,23)/t10?,11-/m0/s1