N-[(2S,3S,4R)-1,3,4-tris(oxidanyl)octadecan-2-yl]docosanamide

Systemtic Name: N-[(2S,3S,4R)-1,3,4-tris(oxidanyl)octadecan-2-yl]docosanamide Openeye Name: N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]docosanamide CAS Name: N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]docosanamide IUPAC Name: N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]docosanamide Traditional Name: N-[(1S,2S,3R)-2,3-dihydroxy-1-methylol-heptadecyl]behenamide Formula: C40H81NO4 MolecularWeight: 640.07544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C40H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)41-37(36-42)40(45)38(43)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-38,40,42-43,45H,3-36H2,1-2H3,(H,41,44)/t37-,38+,40-/m0/s1