(E)-4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyloctadec-5-enoic acid

Systemtic Name: (E)-4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyloctadec-5-enoic acid Openeye Name: (E)-4-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyloctadec-5-enoic acid CAS Name: (E)-4-[(2-amino-3-hydroxy-3-oxopropyl)thio]-5-octadecenoic acid IUPAC Name: (E)-4-(2-amino-3-hydroxy-3-oxopropyl)sulfanyloctadec-5-enoic acid Traditional Name: (E)-4-[(2-amino-3-hydroxy-3-keto-propyl)thio]octadec-5-enoic acid Formula: C21H39NO4S MolecularWeight: 401.60366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15-16-20(23)24)27-17-19(22)21(25)26/h13-14,18-19H,2-12,15-17,22H2,1H3,(H,23,24)(H,25,26)/b14-13+