2-[[(E)-icos-7-enyl]-(oxan-2-yloxy)amino]-3-sulfanyl-propanoate

Systemtic Name: 2-[[(E)-icos-7-enyl]-(oxan-2-yloxy)amino]-3-sulfanyl-propanoate Openeye Name: 2-[[(E)-icos-7-enyl]-tetrahydropyran-2-yloxy-amino]-3-sulfanyl-propanoate CAS Name: 2-[[(E)-eicos-7-enyl]-(2-oxanyloxy)amino]-3-mercaptopropanoate IUPAC Name: 2-[[(E)-icos-7-enyl]-(oxan-2-yloxy)amino]-3-sulfanylpropanoate Traditional Name: 2-[[(E)-eicos-7-enyl]-tetrahydropyran-2-yloxy-amino]-3-mercapto-propionate Formula: C28H52NO4S- MolecularWeight: 498.78178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CCCCCCCN(C(CS)C(=O)[O-])OC1CCCCO1

Isomeric SMILES

CCCCCCCCCCCC/C=C/CCCCCCN(C(CS)C(=O)[O-])OC1CCCCO1

InChI

InChI=1S/C28H53NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-29(26(25-34)28(30)31)33-27-22-19-21-24-32-27/h13-14,26-27,34H,2-12,15-25H2,1H3,(H,30,31)/p-1/b14-13+