(2R)-2-acetamido-3-[4-heptadecyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[4-heptadecyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-acetamido-3-(4-heptadecyl-2,3-dihydroxy-phenyl)sulfanyl-propanoic acid CAS Name: (2R)-2-acetamido-3-[(4-heptadecyl-2,3-dihydroxyphenyl)thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-(4-heptadecyl-2,3-dihydroxyphenyl)sulfanylpropanoic acid Traditional Name: (2R)-2-acetamido-3-[(4-heptadecyl-2,3-dihydroxy-phenyl)thio]propionic acid Formula: C28H47NO5S MolecularWeight: 509.74148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)SCC(C(=O)O)NC(=O)C)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)SC[C@@H](C(=O)O)NC(=O)C)O)O

InChI

InChI=1S/C28H47NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20-25(27(32)26(23)31)35-21-24(28(33)34)29-22(2)30/h19-20,24,31-32H,3-18,21H2,1-2H3,(H,29,30)(H,33,34)/t24-/m0/s1