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

Systemtic Name: 5-fluoranyl-3-[[(2S)-1-[(2-methylphenyl)methoxycarbonyl]piperidin-2-yl]carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[(2S)-1-(o-tolylmethoxycarbonyl)piperidine-2-carbonyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[[(2S)-1-[(2-methylphenyl)methoxy-oxomethyl]-2-piperidinyl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[(2S)-1-[(2-methylphenyl)methoxycarbonyl]piperidine-2-carbonyl]amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-1-(2-methylbenzyl)oxycarbonylpipecoloyl]amino]valeric acid Formula: C20H25FN2O6 MolecularWeight: 408.420703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)N2CCCCC2C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

CC1=CC=CC=C1COC(=O)N2CCCC[C@H]2C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C20H25FN2O6/c1-13-6-2-3-7-14(13)12-29-20(28)23-9-5-4-8-16(23)19(27)22-15(10-18(25)26)17(24)11-21/h2-3,6-7,15-16H,4-5,8-12H2,1H3,(H,22,27)(H,25,26)/t15?,16-/m0/s1