1-[2-(hydroxymethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[2-(hydroxymethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-(hydroxymethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid CAS Name: 1-[2-(hydroxymethyl)-3-mercapto-1-oxopropyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-(hydroxymethyl)-3-sulfanylpropanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[3-hydroxy-2-(mercaptomethyl)propanoyl]pipecolinic acid Formula: C10H17NO4S MolecularWeight: 247.31128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)C(CO)CS

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)C(CO)CS

InChI

InChI=1S/C10H17NO4S/c12-5-7(6-16)9(13)11-4-2-1-3-8(11)10(14)15/h7-8,12,16H,1-6H2,(H,14,15)