1-[3-(4-oxidanyl-3,5-diphenyl-phenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-(4-oxidanyl-3,5-diphenyl-phenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(4-hydroxy-3,5-diphenyl-phenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[(4-hydroxy-3,5-diphenylphenyl)thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(4-hydroxy-3,5-diphenylphenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[(4-hydroxy-3,5-diphenyl-phenyl)thio]propanoyl]proline Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCSC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCSC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H25NO4S/c28-24(27-14-7-12-23(27)26(30)31)13-15-32-20-16-21(18-8-3-1-4-9-18)25(29)22(17-20)19-10-5-2-6-11-19/h1-6,8-11,16-17,23,29H,7,12-15H2,(H,30,31)