N-[(2R,3R,4R,5S,6R)-2-[(E,2S,3R)-2-azido-3-oxidanyl-octadec-4-enoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]ethanamide

Systemtic Name: N-[(2R,3R,4R,5S,6R)-2-[(E,2S,3R)-2-azido-3-oxidanyl-octadec-4-enoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]ethanamide Openeye Name: N-[(2R,3R,4R,5S,6R)-2-[(E,2S,3R)-2-azido-3-hydroxy-octadec-4-enoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide CAS Name: N-[(2R,3R,4R,5S,6R)-2-[(E,2S,3R)-2-azido-3-hydroxyoctadec-4-enoxy]-4-hydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-oxanyl]acetamide IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-[(E,2S,3R)-2-azido-3-hydroxyoctadec-4-enoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide Traditional Name: N-[(2R,3R,4R,5S,6R)-2-[(E,2S,3R)-2-azido-3-hydroxy-octadec-4-enoxy]-4-hydroxy-6-methylol-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide Formula: C32H58N4O12 MolecularWeight: 690.82252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)NC(=O)C)N=[N+]=[N-])O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)NC(=O)C)N=[N+]=[N-])O

InChI

InChI=1S/C32H58N4O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(40)21(35-36-33)19-45-31-25(34-20(2)39)27(42)30(24(18-38)47-31)48-32-29(44)28(43)26(41)23(17-37)46-32/h15-16,21-32,37-38,40-44H,3-14,17-19H2,1-2H3,(H,34,39)/b16-15+/t21-,22+,23+,24+,25+,26-,27+,28-,29+,30+,31+,32-/m0/s1