(E)-5-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-4-oxidanyl-nonadec-6-enoic acid

Systemtic Name: (E)-5-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-4-oxidanyl-nonadec-6-enoic acid Openeye Name: (E)-5-(3-amino-3-oxo-propyl)sulfanyl-4-hydroxy-nonadec-6-enoic acid CAS Name: (E)-5-[(3-amino-3-oxopropyl)thio]-4-hydroxy-6-nonadecenoic acid IUPAC Name: (E)-5-(3-amino-3-oxopropyl)sulfanyl-4-hydroxynonadec-6-enoic acid Traditional Name: (E)-5-[(3-amino-3-keto-propyl)thio]-4-hydroxy-nonadec-6-enoic acid Formula: C22H41NO4S MolecularWeight: 415.63024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(28-18-17-21(23)25)19(24)15-16-22(26)27/h13-14,19-20,24H,2-12,15-18H2,1H3,(H2,23,25)(H,26,27)/b14-13+