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

Systemtic Name: (E)-5-[3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-heptadec-6-enoic acid Openeye Name: (E)-5-[3-[carboxy(methyl)amino]-3-oxo-propyl]sulfanyl-4-hydroxy-heptadec-6-enoic acid CAS Name: (E)-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]thio]-4-hydroxy-6-heptadecenoic acid IUPAC Name: (E)-5-[3-[carboxy(methyl)amino]-3-oxopropyl]sulfanyl-4-hydroxyheptadec-6-enoic acid Traditional Name: (E)-5-[[3-[carboxy(methyl)amino]-3-keto-propyl]thio]-4-hydroxy-heptadec-6-enoic acid Formula: C22H39NO6S MolecularWeight: 445.61316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SCCC(=O)N(C)C(=O)O

InChI

InChI=1S/C22H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-19(18(24)14-15-21(26)27)30-17-16-20(25)23(2)22(28)29/h12-13,18-19,24H,3-11,14-17H2,1-2H3,(H,26,27)(H,28,29)/b13-12+