N-[(E,2S,3R)-1,3-bis(oxidanyl)hexadec-4-en-2-yl]tetracosanamide

Systemtic Name: N-[(E,2S,3R)-1,3-bis(oxidanyl)hexadec-4-en-2-yl]tetracosanamide Openeye Name: N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)pentadec-3-enyl]tetracosanamide CAS Name: N-[(E,2S,3R)-1,3-dihydroxyhexadec-4-en-2-yl]tetracosanamide IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyhexadec-4-en-2-yl]tetracosanamide Traditional Name: N-[(E,1S,2R)-2-hydroxy-1-methylol-pentadec-3-enyl]lignoceramide Formula: C40H79NO3 MolecularWeight: 622.06016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+/t38-,39+/m0/s1