(E)-4-[3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanyloctadec-5-enoic acid

Systemtic Name: (E)-4-[3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanyloctadec-5-enoic acid Openeye Name: (E)-4-[3-[carboxy(methyl)amino]-3-oxo-propyl]sulfanyloctadec-5-enoic acid CAS Name: (E)-4-[[3-[carboxy(methyl)amino]-3-oxopropyl]thio]-5-octadecenoic acid IUPAC Name: (E)-4-[3-[carboxy(methyl)amino]-3-oxopropyl]sulfanyloctadec-5-enoic acid Traditional Name: (E)-4-[[3-[carboxy(methyl)amino]-3-keto-propyl]thio]octadec-5-enoic acid Formula: C23H41NO5S MolecularWeight: 443.64034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H41NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(16-17-22(26)27)30-19-18-21(25)24(2)23(28)29/h14-15,20H,3-13,16-19H2,1-2H3,(H,26,27)(H,28,29)/b15-14+