5-phenyl-1-[2-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 5-phenyl-1-[2-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-benzoylsulfanylpropanoyl)-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(benzoylthio)-1-oxopropyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzoylsulfanylpropanoyl)-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzoylthio)propanoyl]-5-phenyl-proline Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(CCC1C(=O)O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1C(CCC1C(=O)O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO4S/c1-14(27-21(26)16-10-6-3-7-11-16)19(23)22-17(12-13-18(22)20(24)25)15-8-4-2-5-9-15/h2-11,14,17-18H,12-13H2,1H3,(H,24,25)