(E)-5-[3-[carboxymethyl(methyl)amino]-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid

Systemtic Name: (E)-5-[3-[carboxymethyl(methyl)amino]-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid Openeye Name: (E)-5-[3-[carboxymethyl(methyl)amino]-3-oxo-propyl]sulfanyl-4-hydroxy-nonadec-6-enoic acid CAS Name: (E)-5-[[3-[carboxymethyl(methyl)amino]-3-oxopropyl]thio]-4-hydroxy-6-nonadecenoic acid IUPAC Name: (E)-5-[3-[carboxymethyl(methyl)amino]-3-oxopropyl]sulfanyl-4-hydroxynonadec-6-enoic acid Traditional Name: (E)-5-[[3-[carboxymethyl(methyl)amino]-3-keto-propyl]thio]-4-hydroxy-nonadec-6-enoic acid Formula: C25H45NO6S MolecularWeight: 487.6929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SCCC(=O)N(C)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SCCC(=O)N(C)CC(=O)O

InChI

InChI=1S/C25H45NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22(21(27)16-17-24(29)30)33-19-18-23(28)26(2)20-25(31)32/h14-15,21-22,27H,3-13,16-20H2,1-2H3,(H,29,30)(H,31,32)/b15-14+