N-[(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]-16-sulfanyl-hexadecanamide

Systemtic Name: N-[(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]-16-sulfanyl-hexadecanamide Openeye Name: N-[(E,1S,2R)-2-hydroxy-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]-16-sulfanyl-hexadecanamide CAS Name: N-[(E,2S,3R)-3-hydroxy-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadec-4-en-2-yl]-16-mercaptohexadecanamide IUPAC Name: N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]-16-sulfanylhexadecanamide Traditional Name: N-[(E,1S,2R)-2-hydroxy-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]-16-mercapto-palmitamide Formula: C40H77NO8S MolecularWeight: 732.10628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCS)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCS)O

InChI

InChI=1S/C40H77NO8S/c1-2-3-4-5-6-7-8-10-13-16-19-22-25-28-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)29-26-23-20-17-14-11-9-12-15-18-21-24-27-30-50/h25,28,33-35,37-40,42-43,45-47,50H,2-24,26-27,29-32H2,1H3,(H,41,44)/b28-25+/t33-,34+,35+,37-,38-,39+,40+/m0/s1