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

Systemtic Name: 1-[2-(phenylmethyl)-4-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-benzyl-4-sulfanyl-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[4-mercapto-1-oxo-2-(phenylmethyl)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzyl-4-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(2-benzyl-4-mercapto-butanoyl)proline Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCS)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCS)CC2=CC=CC=C2)C(=O)O

InChI

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