2-[ethanoyl-[(E)-5-oxidanylicos-1-enyl]amino]-2-methyl-3-sulfanyl-propaneperoxoic acid

Systemtic Name: 2-[ethanoyl-[(E)-5-oxidanylicos-1-enyl]amino]-2-methyl-3-sulfanyl-propaneperoxoic acid Openeye Name: 2-[acetyl-[(E)-5-hydroxyicos-1-enyl]amino]-2-methyl-3-sulfanyl-propaneperoxoic acid CAS Name: 2-[acetyl-[(E)-5-hydroxyeicos-1-enyl]amino]-3-mercapto-2-methylpropaneperoxoic acid IUPAC Name: 2-[acetyl-[(E)-5-hydroxyicos-1-enyl]amino]-2-methyl-3-sulfanylpropaneperoxoic acid Traditional Name: 2-[acetyl-[(E)-5-hydroxyeicos-1-enyl]amino]-3-mercapto-2-methyl-peroxypropionic acid Formula: C26H49NO5S MolecularWeight: 487.73596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCC=CN(C(=O)C)C(C)(CS)C(=O)OO)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC/C=C/N(C(=O)C)C(C)(CS)C(=O)OO)O

InChI

InChI=1S/C26H49NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(29)20-17-18-21-27(23(2)28)26(3,22-33)25(30)32-31/h18,21,24,29,31,33H,4-17,19-20,22H2,1-3H3/b21-18+