1-[3-(phenethylcarbamoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-(phenethylcarbamoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(phenethylcarbamoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-3-[[oxo-(phenethylamino)methyl]thio]propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(phenethylcarbamoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(phenethylcarbamoylthio)propanoyl]proline Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCSC(=O)NCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCSC(=O)NCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H22N2O4S/c20-15(19-11-4-7-14(19)16(21)22)9-12-24-17(23)18-10-8-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,18,23)(H,21,22)