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

Systemtic Name: 2-oxidanyl-N-[(2S,4R)-1,3,4-tris(oxidanyl)henicosan-2-yl]henicosanamide Openeye Name: N-[(1S,3R)-2,3-dihydroxy-1-(hydroxymethyl)icosyl]-2-hydroxy-henicosanamide CAS Name: 2-hydroxy-N-[(2S,4R)-1,3,4-trihydroxyheneicosan-2-yl]heneicosanamide IUPAC Name: 2-hydroxy-N-[(2S,4R)-1,3,4-trihydroxyhenicosan-2-yl]henicosanamide Traditional Name: N-[(1S,3R)-2,3-dihydroxy-1-methylol-eicosyl]-2-hydroxy-heneicosanamide Formula: C42H85NO5 MolecularWeight: 684.128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCCCCC)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)C([C@@H](CCCCCCCCCCCCCCCCC)O)O)O

InChI

InChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40?,41?/m0/s1