2-[(2-butan-2-yl-6-phenyl-4-sulfanyl-hexanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[(2-butan-2-yl-6-phenyl-4-sulfanyl-hexanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[(6-phenyl-2-sec-butyl-4-sulfanyl-hexanoyl)amino]propanoic acid CAS Name: 2-[(2-butan-2-yl-4-mercapto-1-oxo-6-phenylhexyl)amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(2-butan-2-yl-6-phenyl-4-sulfanylhexanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[(4-mercapto-6-phenyl-2-sec-butyl-hexanoyl)amino]propionic acid Formula: C25H33NO4S MolecularWeight: 443.59882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(CCC1=CC=CC=C1)S)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

CCC(C)C(CC(CCC1=CC=CC=C1)S)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C25H33NO4S/c1-3-17(2)22(16-21(31)14-11-18-7-5-4-6-8-18)24(28)26-23(25(29)30)15-19-9-12-20(27)13-10-19/h4-10,12-13,17,21-23,27,31H,3,11,14-16H2,1-2H3,(H,26,28)(H,29,30)