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

Systemtic Name: 1-[4-(phenylcarbonylsulfanyl)-2-(phenylmethyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-benzoylsulfanyl-2-benzyl-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(benzoylthio)-1-oxo-2-(phenylmethyl)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-benzoylsulfanyl-2-benzylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(benzoylthio)-2-benzyl-butanoyl]proline Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCSC(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCSC(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H25NO4S/c25-21(24-14-7-12-20(24)22(26)27)19(16-17-8-3-1-4-9-17)13-15-29-23(28)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,26,27)