3-[[(2S)-1-(1-benzofuran-2-ylcarbonyl)piperidin-2-yl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[(2S)-1-(1-benzofuran-2-ylcarbonyl)piperidin-2-yl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-1-(benzofuran-2-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[[(2S)-1-[2-benzofuranyl(oxo)methyl]-2-piperidinyl]-oxomethyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-1-(1-benzofuran-2-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-1-(benzofuran-2-carbonyl)pipecoloyl]amino]-5-fluoro-4-keto-valeric acid Formula: C20H21FN2O6 MolecularWeight: 404.388943

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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=CC3=CC=CC=C3O2

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)NC(CC(=O)O)C(=O)CF)C(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C20H21FN2O6/c21-11-15(24)13(10-18(25)26)22-19(27)14-6-3-4-8-23(14)20(28)17-9-12-5-1-2-7-16(12)29-17/h1-2,5,7,9,13-14H,3-4,6,8,10-11H2,(H,22,27)(H,25,26)/t13?,14-/m0/s1