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

Systemtic Name: 1-[2-(phenylmethyl)-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-benzyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(2-benzyl-3-mercapto-propanoyl)proline Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3S/c17-14(16-8-4-7-13(16)15(18)19)12(10-20)9-11-5-2-1-3-6-11/h1-3,5-6,12-13,20H,4,7-10H2,(H,18,19)