(Z,2S)-N-[(2S,3S,4R)-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-16-methyl-3,4-bis(oxidanyl)heptadecan-2-yl]-2-oxidanyl-pentacos-16-enamide

Systemtic Name: (Z,2S)-N-[(2S,3S,4R)-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-16-methyl-3,4-bis(oxidanyl)heptadecan-2-yl]-2-oxidanyl-pentacos-16-enamide Openeye Name: (Z,2S)-N-[(1S,2S,3R)-2,3-dihydroxy-15-methyl-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]hexadecyl]-2-hydroxy-pentacos-16-enamide CAS Name: (Z,2S)-N-[(2S,3S,4R)-3,4-dihydroxy-16-methyl-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]heptadecan-2-yl]-2-hydroxy-16-pentacosenamide IUPAC Name: (Z,2S)-N-[(2S,3S,4R)-3,4-dihydroxy-16-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecan-2-yl]-2-hydroxypentacos-16-enamide Traditional Name: (Z,2S)-N-[(1S,2S,3R)-2,3-dihydroxy-15-methyl-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]hexadecyl]-2-hydroxy-pentacos-16-enamide Formula: C49H95NO10 MolecularWeight: 858.2793

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCC(C)C)O)O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCC[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](CCCCCCCCCCCC(C)C)O)O)O

InChI

InChI=1S/C49H95NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-42(53)48(58)50-40(38-59-49-47(57)46(56)45(55)43(37-51)60-49)44(54)41(52)35-32-29-26-24-21-22-25-28-31-34-39(2)3/h11-12,39-47,49,51-57H,4-10,13-38H2,1-3H3,(H,50,58)/b12-11-/t40-,41+,42-,43+,44-,45+,46-,47+,49+/m0/s1