(E)-6-(2-acetamido-1-methoxy-3-methyl-1-oxidanylidene-pentan-3-yl)sulfanyl-5-oxidanyl-nonadec-7-enoic acid

Systemtic Name: (E)-6-(2-acetamido-1-methoxy-3-methyl-1-oxidanylidene-pentan-3-yl)sulfanyl-5-oxidanyl-nonadec-7-enoic acid Openeye Name: (E)-6-(2-acetamido-1-ethyl-3-methoxy-1-methyl-3-oxo-propyl)sulfanyl-5-hydroxy-nonadec-7-enoic acid CAS Name: (E)-6-[(2-acetamido-1-methoxy-3-methyl-1-oxopentan-3-yl)thio]-5-hydroxy-7-nonadecenoic acid IUPAC Name: (E)-6-(2-acetamido-1-methoxy-3-methyl-1-oxopentan-3-yl)sulfanyl-5-hydroxynonadec-7-enoic acid Traditional Name: (E)-6-[(2-acetamido-1-ethyl-3-keto-3-methoxy-1-methyl-propyl)thio]-5-hydroxy-nonadec-7-enoic acid Formula: C28H51NO6S MolecularWeight: 529.77264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC(C(CCCC(=O)O)O)SC(C)(CC)C(C(=O)OC)NC(=O)C

Isomeric SMILES

CCCCCCCCCCC/C=C/C(C(CCCC(=O)O)O)SC(C)(CC)C(C(=O)OC)NC(=O)C

InChI

InChI=1S/C28H51NO6S/c1-6-8-9-10-11-12-13-14-15-16-17-20-24(23(31)19-18-21-25(32)33)36-28(4,7-2)26(27(34)35-5)29-22(3)30/h17,20,23-24,26,31H,6-16,18-19,21H2,1-5H3,(H,29,30)(H,32,33)/b20-17+