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(2R,3S,4R,5R,6R)-6-[(1R,2S,3R,4R)-1,3-bis(oxidanyl)-5-oxidanylidene-4-(sulfoamino)-1-sulfooxy-pentan-2-yl]oxy-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6S)-5-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-oxidanyl-5-(sulfooxymethyl)oxane-2-carboxylic acid

(2R,3S,4R,5R,6R)-6-[(1R,2S,3R,4R)-1,3-bis(oxidanyl)-5-oxidanylidene-4-(sulfoamino)-1-sulfooxy-pentan-2-yl]oxy-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6S)-5-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-oxidanyl-5-(sulfooxymethyl)oxane-2-carboxylic acid

Systemtic Name:(2R,3S,4R,5R,6R)-6-[(1R,2S,3R,4R)-1,3-bis(oxidanyl)-5-oxidanylidene-4-(sulfoamino)-1-sulfooxy-pentan-2-yl]oxy-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6S)-5-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-oxidanyl-5-(sulfooxymethyl)oxane-2-carboxylic acid
Openeye Name:(2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6S)-6-carboxy-5-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-[(1S,2R,3R)-2-hydroxy-1-[(R)-hydroxy(sulfooxy)methyl]-4-oxo-3-(sulfoamino)butoxy]-5-(sulfooxymethyl)tetrahydropyran-2-carboxylic acid
CAS Name:(2R,3S,4R,5R,6R)-3-[[(2R,3R,4R,5R,6R)-5-[[(2R,3R,4R,5S,6S)-6-carboxy-5-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)-2-oxanyl]oxy]-3,4-dihydroxy-2-oxanyl]oxy]-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)-2-oxanyl]oxy]-6-[(1R,2S,3R,4R)-1,3-dihydroxy-5-oxo-4-(sulfoamino)-1-sulfooxypentan-2-yl]oxy-4-hydroxy-5-(sulfooxymethyl)-2-oxanecarboxylic acid
IUPAC Name:(2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6S)-6-carboxy-5-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(1R,2S,3R,4R)-1,3-dihydroxy-5-oxo-4-(sulfoamino)-1-sulfooxypentan-2-yl]oxy-4-hydroxy-5-(sulfooxymethyl)oxane-2-carboxylic acid
Traditional Name:(2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6S)-6-carboxy-5-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-3-(sulfoamino)-4-sulfoxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-[(1S,2R,3R)-2-hydroxy-1-[(R)-hydroxy(sulfoxy)methyl]-4-keto-3-(sulfoamino)butoxy]-5-(sulfoxymethyl)tetrahydropyran-2-carboxylic acid
Formula: C30H51N3O49S8
MolecularWeight: 1494.23664
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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(OC1OC(C(C(C=O)NS(=O)(=O)O)O)C(O)OS(=O)(=O)O)C(=O)O)OC2C(C(C(C(O2)COS(=O)(=O)O)OC3C(C(C(C(O3)C(=O)O)OC4C(C(C(C(O4)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O


Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O[C@@H]([C@@H]([C@H](C=O)NS(=O)(=O)O)O)[C@H](O)OS(=O)(=O)O)C(=O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O


InChI

InChI=1S/C30H51N3O49S8/c34-1-6(31-83(46,47)48)12(36)21(26(45)82-90(67,68)69)78-27-5(2-70-86(55,56)57)11(35)19(22(79-27)24(41)42)76-29-10(33-85(52,53)54)18(81-89(64,65)66)17(8(74-29)4-72-88(61,62)63)75-30-16(40)15(39)20(23(80-30)25(43)44)77-28-9(32-84(49,50)51)14(38)13(37)7(73-28)3-71-87(58,59)60/h1,5-23,26-33,35-40,45H,2-4H2,(H,41,42)(H,43,44)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)/t5-,6+,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22-,23


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