2-[[(E)-20-oxidanylicos-8-en-7-yl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[(E)-20-oxidanylicos-8-en-7-yl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[(E)-1-hexyl-14-hydroxy-tetradec-2-enyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[(E)-20-hydroxyeicos-8-en-7-yl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[(E)-20-hydroxyicos-8-en-7-yl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[(E)-1-hexyl-14-hydroxy-tetradec-2-enyl]amino]-3-mercapto-propionic acid Formula: C23H45NO3S MolecularWeight: 415.6733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C=CCCCCCCCCCCCO)NC(CS)C(=O)O

Isomeric SMILES

CCCCCCC(/C=C/CCCCCCCCCCCO)NC(CS)C(=O)O

InChI

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