2-[[(E)-20-oxidanylicos-6-en-5-yl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[(E)-20-oxidanylicos-6-en-5-yl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[(E)-1-butyl-16-hydroxy-hexadec-2-enyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[(E)-20-hydroxyeicos-6-en-5-yl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[(E)-20-hydroxyicos-6-en-5-yl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[(E)-1-butyl-16-hydroxy-hexadec-2-enyl]amino]-3-mercapto-propionic acid Formula: C23H45NO3S MolecularWeight: 415.6733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=CCCCCCCCCCCCCCO)NC(CS)C(=O)O

Isomeric SMILES

CCCCC(/C=C/CCCCCCCCCCCCCO)NC(CS)C(=O)O

InChI

InChI=1S/C23H45NO3S/c1-2-3-17-21(24-22(20-28)23(26)27)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-25/h15,18,21-22,24-25,28H,2-14,16-17,19-20H2,1H3,(H,26,27)/b18-15+