5-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-2-[(phenylmethyl)amino]pentanoic acid

Systemtic Name: 5-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-2-[(phenylmethyl)amino]pentanoic acid Openeye Name: 2-(benzylamino)-5-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-pentanoic acid CAS Name: 5-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-2-[(phenylmethyl)amino]pentanoic acid IUPAC Name: 2-(benzylamino)-5-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpentanoic acid Traditional Name: 2-(benzylamino)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]valeric acid Formula: C26H37NO3S MolecularWeight: 443.64188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCC(C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCC(C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C26H37NO3S/c1-25(2,3)20-15-19(16-21(23(20)28)26(4,5)6)31-14-10-13-22(24(29)30)27-17-18-11-8-7-9-12-18/h7-9,11-12,15-16,22,27-28H,10,13-14,17H2,1-6H3,(H,29,30)