methyl (3S,4S,5R,6S)-6-acetamido-4,5-bis(oxidanyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate

Systemtic Name: methyl (3S,4S,5R,6S)-6-acetamido-4,5-bis(oxidanyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate Openeye Name: methyl (3S,4S,5R,6S)-6-acetamido-4,5-dihydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate CAS Name: (3S,4S,5R,6S)-6-acetamido-4,5-dihydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S,5R,6S)-6-acetamido-4,5-dihydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate Traditional Name: (3S,4S,5R,6S)-6-acetamido-4,5-dihydroxy-1-[2-(trifluoromethyl)benzyl]nipecotic acid methyl ester Formula: C17H21F3N2O5 MolecularWeight: 390.35425

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(CN1CC2=CC=CC=C2C(F)(F)F)C(=O)OC)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1CC2=CC=CC=C2C(F)(F)F)C(=O)OC)O)O

InChI

InChI=1S/C17H21F3N2O5/c1-9(23)21-15-14(25)13(24)11(16(26)27-2)8-22(15)7-10-5-3-4-6-12(10)17(18,19)20/h3-6,11,13-15,24-25H,7-8H2,1-2H3,(H,21,23)/t11-,13-,14-,15-/m0/s1