5-fluoranyl-3-[[(2S)-1-[(7-methoxy-1-benzofuran-2-yl)carbonyl]piperidin-2-yl]carbonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-fluoranyl-3-[[(2S)-1-[(7-methoxy-1-benzofuran-2-yl)carbonyl]piperidin-2-yl]carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[(2S)-1-(7-methoxybenzofuran-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[[(2S)-1-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2-piperidinyl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[(2S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-1-(7-methoxybenzofuran-2-carbonyl)pipecoloyl]amino]valeric acid Formula: C21H23FN2O7 MolecularWeight: 434.414923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)N3CCCCC3C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N3CCCC[C@H]3C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C21H23FN2O7/c1-30-16-7-4-5-12-9-17(31-19(12)16)21(29)24-8-3-2-6-14(24)20(28)23-13(10-18(26)27)15(25)11-22/h4-5,7,9,13-14H,2-3,6,8,10-11H2,1H3,(H,23,28)(H,26,27)/t13?,14-/m0/s1