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

Systemtic Name: 1-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]propanoyl]proline Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C22H33NO4S/c1-21(2,3)15-12-14(13-16(19(15)25)22(4,5)6)28-11-9-18(24)23-10-7-8-17(23)20(26)27/h12-13,17,25H,7-11H2,1-6H3,(H,26,27)