(2S)-1-[3-[(phenylmethylsulfanyl)methylsulfanyl]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[3-[(phenylmethylsulfanyl)methylsulfanyl]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[3-(benzylsulfanylmethylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[1-oxo-3-[(phenylmethylthio)methylthio]propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[3-(benzylsulfanylmethylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-[(benzylthio)methylthio]propanoyl]proline Formula: C16H21NO3S2 MolecularWeight: 339.47284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCSCSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCSCSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H21NO3S2/c18-15(17-9-4-7-14(17)16(19)20)8-10-21-12-22-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,19,20)/t14-/m0/s1