(2R,6R)-6-methyl-1-[3-(phenylcarbonylsulfanyl)propanoyl]piperidine-2-carboxylic acid

Systemtic Name: (2R,6R)-6-methyl-1-[3-(phenylcarbonylsulfanyl)propanoyl]piperidine-2-carboxylic acid Openeye Name: (2R,6R)-1-(3-benzoylsulfanylpropanoyl)-6-methyl-piperidine-2-carboxylic acid CAS Name: (2R,6R)-1-[3-(benzoylthio)-1-oxopropyl]-6-methyl-2-piperidinecarboxylic acid IUPAC Name: (2R,6R)-1-(3-benzoylsulfanylpropanoyl)-6-methylpiperidine-2-carboxylic acid Traditional Name: (2R,6R)-1-[3-(benzoylthio)propanoyl]-6-methyl-pipecolinic acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CCSC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C[C@@H]1CCC[C@@H](N1C(=O)CCSC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H21NO4S/c1-12-6-5-9-14(16(20)21)18(12)15(19)10-11-23-17(22)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,20,21)/t12-,14-/m1/s1