1-[2-(cyanomethylsulfanyl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(cyanomethylsulfanyl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(cyanomethylsulfanyl)acetyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(cyanomethylthio)-1-oxoethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(cyanomethylsulfanyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(cyanomethylthio)acetyl]-4-hydroxy-proline Formula: C9H12N2O4S MolecularWeight: 244.26758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)CSCC#N)O

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)CSCC#N)O

InChI

InChI=1S/C9H12N2O4S/c10-1-2-16-5-8(13)11-4-6(12)3-7(11)9(14)15/h6-7,12H,2-5H2,(H,14,15)