[(2R)-3-[[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azanyl-6-[[(4-azido-2-oxidanyl-phenyl)carbonylamino]methyl]-5-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [(2R)-3-[[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azanyl-6-[[(4-azido-2-oxidanyl-phenyl)carbonylamino]methyl]-5-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [(2R)-3-[[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-6-[[(4-azido-2-hydroxy-benzoyl)amino]methyl]-4-hydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4,5,6-tetrahydroxy-cyclohexoxy]-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-[[(1R,2R,3S,4R,5R,6R)-2-[[(2R,3R,4R,5S,6R)-3-amino-6-[[[(4-azido-2-hydroxyphenyl)-oxomethyl]amino]methyl]-4-hydroxy-5-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4,5,6-tetrahydroxycyclohexyl]oxy-hydroxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2R)-3-[[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-6-[[(4-azido-2-hydroxybenzoyl)amino]methyl]-4-hydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5,6-tetrahydroxycyclohexyl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-3-[[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-6-[[(4-azido-2-hydroxy-benzoyl)amino]methyl]-4-hydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4,5,6-tetrahydroxy-cyclohexoxy]-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C60H104N5O23P MolecularWeight: 1294.461221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1OC2C(C(C(C(O2)CNC(=O)C3=C(C=C(C=C3)N=[N+]=[N-])O)OC4C(C(C(C(O4)CO)O)O)O)O)N)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CNC(=O)C3=C(C=C(C=C3)N=[N+]=[N-])O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)N)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C60H104N5O23P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-44(68)81-36-39(83-45(69)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-82-89(79,80)88-57-53(76)51(74)50(73)52(75)56(57)87-59-46(61)48(71)55(86-60-54(77)49(72)47(70)43(35-66)85-60)42(84-59)34-63-58(78)40-32-31-38(64-65-62)33-41(40)67/h31-33,39,42-43,46-57,59-60,66-67,70-77H,3-30,34-37,61H2,1-2H3,(H,63,78)(H,79,80)/t39-,42-,43-,46-,47-,48-,49+,50-,51-,52+,53-,54+,55-,56-,57-,59-,60-/m1/s1