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(2R,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-2-[(2R,3S,4R,5R)-6-[(E,2S,3R)-2-[2,2-bis(chloranyl)ethanoylamino]-3-oxidanyl-octadec-4-enoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)-3-oxidanyl-oxan-4-yl]oxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name:	(2R,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-2-[(2R,3S,4R,5R)-6-[(E,2S,3R)-2-[2,2-bis(chloranyl)ethanoylamino]-3-oxidanyl-octadec-4-enoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)-3-oxidanyl-oxan-4-yl]oxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Openeye Name:	(2R,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[(2R,3S,4R,5R)-6-[(E,2S,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-octadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid
CAS Name:	(2R,4S,5R,6R)-5-acetamido-2-[[(2S,3R,4R,5S,6R)-5-[[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-[[(2R,3S,4R,5R)-6-[(E,2S,3R)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid
IUPAC Name:	(2R,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,5R)-6-[(E,2S,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Traditional Name:	(2R,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-methylol-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[(2R,3S,4R,5R)-6-[(E,2S,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-octadec-4-enoxy]-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-3-hydroxy-6-methylol-tetrahydropyran-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid
Formula:	C₅₇H₉₇Cl₂N₃O₃₁
MolecularWeight:	1391.28758

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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)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)OC5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)C(Cl)Cl)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC1[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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O[C@]5(C[C@@H]([C@H]([C@@H](O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)C(Cl)Cl)O

InChI

InChI=1S/C57H97Cl2N3O31/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(70)27(62-51(81)50(58)59)24-84-53-43(79)41(77)45(33(22-66)87-53)89-55-44(80)49(93-57(56(82)83)18-29(71)35(60-25(2)68)48(92-57)37(73)30(72)19-63)46(34(23-67)88-55)90-52-36(61-26(3)69)47(39(75)32(21-65)85-52)91-54-42(78)40(76)38(74)31(20-64)86-54/h16-17,27-50,52-55,63-67,70-80H,4-15,18-24H2,1-3H3,(H,60,68)(H,61,69)(H,62,81)(H,82,83)/b17-16+/t27-,28+,29-,30?,31+,32+,33+,34+,35+,36+,37?,38-,39-,40-,41+,42+,43+,44+,45+,46-,47+,48+,49+,52-,53?,54-,55-,57+/m0/s1

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