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

Systemtic Name: 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]tetracosanamide CAS Name: N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide IUPAC Name: N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide Traditional Name: N-[(1S,2S,3R)-2,3-dihydroxy-1-methylol-heptadecyl]lignoceramide Formula: C42H85NO4 MolecularWeight: 668.1286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(46)43-39(38-44)42(47)40(45)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-40,42,44-45,47H,3-38H2,1-2H3,(H,43,46)/t39-,40+,42-/m0/s1