(E)-4-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-3-oxidanyl-octadec-5-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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