(2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-18-methyl-3,4-bis(oxidanyl)nonadecan-2-yl]-2-oxidanyl-tetracosanamide

Systemtic Name: (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-18-methyl-3,4-bis(oxidanyl)nonadecan-2-yl]-2-oxidanyl-tetracosanamide Openeye Name: (2R)-N-[(1S,2S,3R)-2,3-dihydroxy-17-methyl-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]octadecyl]-2-hydroxy-tetracosanamide CAS Name: (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-18-methyl-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]nonadecan-2-yl]-2-hydroxytetracosanamide IUPAC Name: (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-18-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonadecan-2-yl]-2-hydroxytetracosanamide Traditional Name: (2R)-N-[(1S,2S,3R)-2,3-dihydroxy-17-methyl-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]octadecyl]-2-hydroxy-lignoceramide Formula: C50H99NO10 MolecularWeight: 874.32176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCCC(C)C)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C50H99NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-37-43(54)49(59)51-41(39-60-50-48(58)47(57)46(56)44(38-52)61-50)45(55)42(53)36-33-30-27-24-22-19-20-23-26-29-32-35-40(2)3/h40-48,50,52-58H,4-39H2,1-3H3,(H,51,59)/t41-,42+,43+,44+,45-,46-,47-,48+,50-/m0/s1