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

Systemtic Name: 26-oxidanyl-N-[(2S,3S,4R)-1,3,4-tris(oxidanyl)octadecan-2-yl]hexacosanamide Openeye Name: N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-26-hydroxy-hexacosanamide CAS Name: 26-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide IUPAC Name: 26-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide Traditional Name: N-[(1S,2S,3R)-2,3-dihydroxy-1-methylol-heptadecyl]-26-hydroxy-cerotamide Formula: C44H89NO5 MolecularWeight: 712.18116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCO)O)O

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCO)O)O

InChI

InChI=1S/C44H89NO5/c1-2-3-4-5-6-7-8-22-25-28-31-34-37-42(48)44(50)41(40-47)45-43(49)38-35-32-29-26-23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-27-30-33-36-39-46/h41-42,44,46-48,50H,2-40H2,1H3,(H,45,49)/t41-,42+,44-/m0/s1