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

Systemtic Name: 2-[[(E)-icos-7-enyl]-(oxan-2-yloxy)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[(E)-icos-7-enyl]-tetrahydropyran-2-yloxy-amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[(E)-eicos-7-enyl]-(2-oxanyloxy)amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[(E)-icos-7-enyl]-(oxan-2-yloxy)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[(E)-eicos-7-enyl]-tetrahydropyran-2-yloxy-amino]-3-mercapto-propionic acid Formula: C28H53NO4S MolecularWeight: 499.78972

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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)/b14-13+