2-[[(E)-1-(oxan-2-yloxy)-5-oxidanyl-icos-7-enyl]amino]-3-sulfanyl-propanoate

Systemtic Name: 2-[[(E)-1-(oxan-2-yloxy)-5-oxidanyl-icos-7-enyl]amino]-3-sulfanyl-propanoate Openeye Name: 2-[[(E)-5-hydroxy-1-tetrahydropyran-2-yloxy-icos-7-enyl]amino]-3-sulfanyl-propanoate CAS Name: 2-[[(E)-5-hydroxy-1-(2-oxanyloxy)eicos-7-enyl]amino]-3-mercaptopropanoate IUPAC Name: 2-[[(E)-5-hydroxy-1-(oxan-2-yloxy)icos-7-enyl]amino]-3-sulfanylpropanoate Traditional Name: 2-[[(E)-5-hydroxy-1-tetrahydropyran-2-yloxy-eicos-7-enyl]amino]-3-mercapto-propionate Formula: C28H52NO5S- MolecularWeight: 514.78118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CCC(CCCC(NC(CS)C(=O)[O-])OC1CCCCO1)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/CC(CCCC(NC(CS)C(=O)[O-])OC1CCCCO1)O

InChI

InChI=1S/C28H53NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24(30)19-17-20-26(29-25(23-35)28(31)32)34-27-21-15-16-22-33-27/h13-14,24-27,29-30,35H,2-12,15-23H2,1H3,(H,31,32)/p-1/b14-13+