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

Systemtic Name: 24-oxidanyl-N-[(2S,3S,4R)-1,3,4-tris(oxidanyl)octadecan-2-yl]tetracosanamide Openeye Name: N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-24-hydroxy-tetracosanamide CAS Name: 24-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide IUPAC Name: 24-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide Traditional Name: N-[(1S,2S,3R)-2,3-dihydroxy-1-methylol-heptadecyl]-24-hydroxy-lignoceramide Formula: C42H85NO5 MolecularWeight: 684.128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H85NO5/c1-2-3-4-5-6-7-8-20-23-26-29-32-35-40(46)42(48)39(38-45)43-41(47)36-33-30-27-24-21-18-16-14-12-10-9-11-13-15-17-19-22-25-28-31-34-37-44/h39-40,42,44-46,48H,2-38H2,1H3,(H,43,47)/t39-,40+,42-/m0/s1