1-[4-(phenylmethylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(phenylmethylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-benzylsulfanylbutanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-4-(phenylmethylthio)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-benzylsulfanylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(benzylthio)butanoyl]proline Formula: C16H21NO3S MolecularWeight: 307.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCCSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c18-15(17-10-4-8-14(17)16(19)20)9-5-11-21-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)