N-[(2S,3R)-1,3-bis(oxidanyl)octadecan-2-yl]-24-oxidanyl-tetracosanamide

Systemtic Name: N-[(2S,3R)-1,3-bis(oxidanyl)octadecan-2-yl]-24-oxidanyl-tetracosanamide Openeye Name: 24-hydroxy-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]tetracosanamide CAS Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-24-hydroxytetracosanamide IUPAC Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-24-hydroxytetracosanamide Traditional Name: 24-hydroxy-N-[(1S,2R)-2-hydroxy-1-methylol-heptadecyl]lignoceramide Formula: C42H85NO4 MolecularWeight: 668.1286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H85NO4/c1-2-3-4-5-6-7-8-18-21-24-27-30-33-36-41(46)40(39-45)43-42(47)37-34-31-28-25-22-19-16-14-12-10-9-11-13-15-17-20-23-26-29-32-35-38-44/h40-41,44-46H,2-39H2,1H3,(H,43,47)/t40-,41+/m0/s1