N-[(2S,3S,4R)-1-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3,4-bis(oxidanyl)octadecan-2-yl]hexacosanamide

Systemtic Name: N-[(2S,3S,4R)-1-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3,4-bis(oxidanyl)octadecan-2-yl]hexacosanamide Openeye Name: N-[(1S,2S,3R)-2,3-dihydroxy-1-[[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]methyl]heptadecyl]hexacosanamide CAS Name: N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]octadecan-2-yl]hexacosanamide IUPAC Name: N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecan-2-yl]hexacosanamide Traditional Name: N-[(1S,2S,3R)-2,3-dihydroxy-1-[[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]methyl]heptadecyl]cerotamide Formula: C50H99NO8 MolecularWeight: 842.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](C[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C50H99NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(54)51-42(40-44-48(56)50(58)49(57)45(41-52)59-44)47(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-45,47-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,45+,47-,48-,49-,50+/m0/s1