(2R)-21-methyl-2-oxidanyl-N-[(2S,3S,4R)-1,3,4-tris(oxidanyl)hexadecan-2-yl]docosanamide

Systemtic Name: (2R)-21-methyl-2-oxidanyl-N-[(2S,3S,4R)-1,3,4-tris(oxidanyl)hexadecan-2-yl]docosanamide Openeye Name: (2R)-N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)pentadecyl]-2-hydroxy-21-methyl-docosanamide CAS Name: (2R)-2-hydroxy-21-methyl-N-[(2S,3S,4R)-1,3,4-trihydroxyhexadecan-2-yl]docosanamide IUPAC Name: (2R)-2-hydroxy-21-methyl-N-[(2S,3S,4R)-1,3,4-trihydroxyhexadecan-2-yl]docosanamide Traditional Name: (2R)-N-[(1S,2S,3R)-2,3-dihydroxy-1-methylol-pentadecyl]-2-hydroxy-21-methyl-behenamide Formula: C39H79NO5 MolecularWeight: 642.04826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(C(CO)NC(=O)C(CCCCCCCCCCCCCCCCCCC(C)C)O)O)O

Isomeric SMILES

CCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)[C@@H](CCCCCCCCCCCCCCCCCCC(C)C)O)O)O

InChI

InChI=1S/C39H79NO5/c1-4-5-6-7-8-9-19-22-25-28-31-36(42)38(44)35(33-41)40-39(45)37(43)32-29-26-23-20-17-15-13-11-10-12-14-16-18-21-24-27-30-34(2)3/h34-38,41-44H,4-33H2,1-3H3,(H,40,45)/t35-,36+,37+,38-/m0/s1