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

Systemtic Name: (E)-4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-3-oxidanyl-octadec-5-enoic acid Openeye Name: (E)-4-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-3-hydroxy-octadec-5-enoic acid CAS Name: (E)-4-[(2-amino-3-hydroxy-3-oxopropyl)thio]-3-hydroxy-5-octadecenoic acid IUPAC Name: (E)-4-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-3-hydroxyoctadec-5-enoic acid Traditional Name: (E)-4-[(2-amino-3-hydroxy-3-keto-propyl)thio]-3-hydroxy-octadec-5-enoic acid Formula: C21H39NO5S MolecularWeight: 417.60306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(18(23)15-20(24)25)28-16-17(22)21(26)27/h13-14,17-19,23H,2-12,15-16,22H2,1H3,(H,24,25)(H,26,27)/b14-13+