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

Systemtic Name: N-[(2S,3R)-1,3-bis(oxidanyl)octadecan-2-yl]-26-oxidanyl-hexacosanamide Openeye Name: 26-hydroxy-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]hexacosanamide CAS Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-26-hydroxyhexacosanamide IUPAC Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-26-hydroxyhexacosanamide Traditional Name: 26-hydroxy-N-[(1S,2R)-2-hydroxy-1-methylol-heptadecyl]cerotamide Formula: C44H89NO4 MolecularWeight: 696.18176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H89NO4/c1-2-3-4-5-6-7-8-20-23-26-29-32-35-38-43(48)42(41-47)45-44(49)39-36-33-30-27-24-21-18-16-14-12-10-9-11-13-15-17-19-22-25-28-31-34-37-40-46/h42-43,46-48H,2-41H2,1H3,(H,45,49)/t42-,43+/m0/s1