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(3S,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxy-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxy-4-oxidanyl-3,5-disulfooxy-oxan-2-yl]oxy-4-oxidanyl-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4-oxidanyl-3-sulfooxy-oxan-2-yl]oxy-4-oxidanyl-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-5-oxidanyl-piperidine-3-carboxylic acid

Systemtic Name:	(3S,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxy-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxy-4-oxidanyl-3,5-disulfooxy-oxan-2-yl]oxy-4-oxidanyl-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4-oxidanyl-3-sulfooxy-oxan-2-yl]oxy-4-oxidanyl-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-5-oxidanyl-piperidine-3-carboxylic acid
Openeye Name:	(3S,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxy-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxy-4-hydroxy-3,5-disulfooxy-tetrahydropyran-2-yl]oxy-4-hydroxy-3-(sulfoamino)-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-3-sulfooxy-tetrahydropyran-2-yl]oxy-4-hydroxy-3-(sulfoamino)-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-5-hydroxy-piperidine-3-carboxylic acid
CAS Name:	(3S,4R,5R)-4-[[(2S,3R,4R,5S,6R)-5-[[(2R,3R,4S,5S,6R)-6-carboxy-5-[[(2R,3R,4R,5S,6R)-5-[[(2R,3R,4S,5S,6R)-6-carboxy-4-hydroxy-3,5-disulfooxy-2-oxanyl]oxy]-4-hydroxy-3-(sulfoamino)-6-(sulfooxymethyl)-2-oxanyl]oxy]-4-hydroxy-3-sulfooxy-2-oxanyl]oxy]-4-hydroxy-3-(sulfoamino)-6-(sulfooxymethyl)-2-oxanyl]oxy]-5-hydroxy-3-piperidinecarboxylic acid
IUPAC Name:	(3S,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxy-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxy-4-hydroxy-3,5-disulfooxyoxan-2-yl]oxy-4-hydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-3-sulfooxyoxan-2-yl]oxy-4-hydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-5-hydroxypiperidine-3-carboxylic acid
Traditional Name:	(3S,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxy-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxy-4-hydroxy-3,5-disulfoxy-tetrahydropyran-2-yl]oxy-4-hydroxy-3-(sulfoamino)-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-3-sulfoxy-tetrahydropyran-2-yl]oxy-4-hydroxy-3-(sulfoamino)-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-5-hydroxy-nipecotic acid
Formula:	C₃₀H₄₉N₃O₄₅S₇
MolecularWeight:	1396.15816

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CN1)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)OC5C(C(C(C(O5)C(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1[C@@H]([C@H]([C@@H](CN1)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[C@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)C(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C30H49N3O45S7/c34-6-2-31-1-5(24(39)40)15(6)70-27-9(32-79(45,46)47)11(35)16(7(68-27)3-66-81(51,52)53)71-29-20(77-84(60,61)62)13(37)18(22(74-29)25(41)42)73-28-10(33-80(48,49)50)12(36)17(8(69-28)4-67-82(54,55)56)72-30-21(78-85(63,64)65)14(38)19(76-83(57,58)59)23(75-30)26(43)44/h5-23,27-38H,1-4H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18-,19-,20+,21+,22+,23+,27+,28+,29+,30+/m0/s1

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