3-[(E)-1-azanyl-4-oxidanyl-1-oxidanylidene-nonadec-6-en-5-yl]sulfanylpropanoic acid

Systemtic Name: 3-[(E)-1-azanyl-4-oxidanyl-1-oxidanylidene-nonadec-6-en-5-yl]sulfanylpropanoic acid Openeye Name: 3-[(E)-1-(4-amino-1-hydroxy-4-oxo-butyl)pentadec-2-enyl]sulfanylpropanoic acid CAS Name: 3-[[(E)-1-amino-4-hydroxy-1-oxononadec-6-en-5-yl]thio]propanoic acid IUPAC Name: 3-[(E)-1-amino-4-hydroxy-1-oxononadec-6-en-5-yl]sulfanylpropanoic acid Traditional Name: 3-[[(E)-1-(4-amino-1-hydroxy-4-keto-butyl)pentadec-2-enyl]thio]propionic acid Formula: C22H41NO4S MolecularWeight: 415.63024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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