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

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylpropyl]amino]acetic acid CAS Name: 2-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]propyl-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-[3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropyl]amino]acetic acid Traditional Name: 2-[benzyl-[3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]propyl]amino]acetic 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)SCCCN(CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCN(CC2=CC=CC=C2)CC(=O)O

InChI

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