(E)-2-(2-acetamido-3-sulfanyl-propanoyl)-5-oxidanyl-nonadec-7-enoic acid

Systemtic Name: (E)-2-(2-acetamido-3-sulfanyl-propanoyl)-5-oxidanyl-nonadec-7-enoic acid Openeye Name: (E)-2-(2-acetamido-3-sulfanyl-propanoyl)-5-hydroxy-nonadec-7-enoic acid CAS Name: (E)-2-(2-acetamido-3-mercapto-1-oxopropyl)-5-hydroxy-7-nonadecenoic acid IUPAC Name: (E)-2-(2-acetamido-3-sulfanylpropanoyl)-5-hydroxynonadec-7-enoic acid Traditional Name: (E)-2-(2-acetamido-3-mercapto-propanoyl)-5-hydroxy-nonadec-7-enoic acid Formula: C24H43NO5S MolecularWeight: 457.66692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CCC(CCC(C(=O)C(CS)NC(=O)C)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCC/C=C/CC(CCC(C(=O)C(CS)NC(=O)C)C(=O)O)O

InChI

InChI=1S/C24H43NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(27)16-17-21(24(29)30)23(28)22(18-31)25-19(2)26/h13-14,20-22,27,31H,3-12,15-18H2,1-2H3,(H,25,26)(H,29,30)/b14-13+