N-[(2S,3S,4R)-21-methyl-1,3,4-tris(oxidanyl)docosan-2-yl]octadecanamide

Systemtic Name: N-[(2S,3S,4R)-21-methyl-1,3,4-tris(oxidanyl)docosan-2-yl]octadecanamide Openeye Name: N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)-20-methyl-henicosyl]octadecanamide CAS Name: N-[(2S,3S,4R)-1,3,4-trihydroxy-21-methyldocosan-2-yl]octadecanamide IUPAC Name: N-[(2S,3S,4R)-1,3,4-trihydroxy-21-methyldocosan-2-yl]octadecanamide Traditional Name: N-[(1S,2S,3R)-2,3-dihydroxy-20-methyl-1-methylol-heneicosyl]stearamide Formula: C41H83NO4 MolecularWeight: 654.10202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCCCCC(C)C)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCCCCC(C)C)O)O

InChI

InChI=1S/C41H83NO4/c1-4-5-6-7-8-9-10-11-12-17-20-23-26-29-32-35-40(45)42-38(36-43)41(46)39(44)34-31-28-25-22-19-16-14-13-15-18-21-24-27-30-33-37(2)3/h37-39,41,43-44,46H,4-36H2,1-3H3,(H,42,45)/t38-,39+,41-/m0/s1