(2S,4R)-1-(3-ethanoylsulfanylpropanoyl)-4-methyl-piperidine-2,4-dicarboxylic acid

Systemtic Name: (2S,4R)-1-(3-ethanoylsulfanylpropanoyl)-4-methyl-piperidine-2,4-dicarboxylic acid Openeye Name: (2S,4R)-1-(3-acetylsulfanylpropanoyl)-4-methyl-piperidine-2,4-dicarboxylic acid CAS Name: (2S,4R)-1-[3-(acetylthio)-1-oxopropyl]-4-methylpiperidine-2,4-dicarboxylic acid IUPAC Name: (2S,4R)-1-(3-acetylsulfanylpropanoyl)-4-methylpiperidine-2,4-dicarboxylic acid Traditional Name: (2S,4R)-1-[3-(acetylthio)propanoyl]-4-methyl-piperidine-2,4-dicarboxylic acid Formula: C13H19NO6S MolecularWeight: 317.35806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1CCC(CC1C(=O)O)(C)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1CC[C@@](C[C@H]1C(=O)O)(C)C(=O)O

InChI

InChI=1S/C13H19NO6S/c1-8(15)21-6-3-10(16)14-5-4-13(2,12(19)20)7-9(14)11(17)18/h9H,3-7H2,1-2H3,(H,17,18)(H,19,20)/t9-,13+/m0/s1