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

Systemtic Name: (E)-6-(2-acetamido-3-methyl-1-oxidanyl-1-oxidanylidene-pentan-3-yl)sulfanyl-5-oxidanyl-nonadec-7-enoic acid Openeye Name: (E)-6-(2-acetamido-1-ethyl-3-hydroxy-1-methyl-3-oxo-propyl)sulfanyl-5-hydroxy-nonadec-7-enoic acid CAS Name: (E)-6-[(2-acetamido-1-hydroxy-3-methyl-1-oxopentan-3-yl)thio]-5-hydroxy-7-nonadecenoic acid IUPAC Name: (E)-6-(2-acetamido-1-hydroxy-3-methyl-1-oxopentan-3-yl)sulfanyl-5-hydroxynonadec-7-enoic acid Traditional Name: (E)-6-[(2-acetamido-1-ethyl-3-hydroxy-3-keto-1-methyl-propyl)thio]-5-hydroxy-nonadec-7-enoic acid Formula: C27H49NO6S MolecularWeight: 515.74606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49NO6S/c1-5-7-8-9-10-11-12-13-14-15-16-19-23(22(30)18-17-20-24(31)32)35-27(4,6-2)25(26(33)34)28-21(3)29/h16,19,22-23,25,30H,5-15,17-18,20H2,1-4H3,(H,28,29)(H,31,32)(H,33,34)/b19-16+