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decasodium (3S,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxylato-4-oxidanyl-3,5-disulfonatooxy-oxan-2-yl]oxy-4-oxidanyl-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-oxidanyl-3-sulfonatooxy-oxan-2-yl]oxy-4-oxidanyl-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-oxidanyl-piperidine-3-carboxylate

Systemtic Name:	decasodium (3S,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxylato-4-oxidanyl-3,5-disulfonatooxy-oxan-2-yl]oxy-4-oxidanyl-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-oxidanyl-3-sulfonatooxy-oxan-2-yl]oxy-4-oxidanyl-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-oxidanyl-piperidine-3-carboxylate
Openeye Name:	decasodium (3S,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxylato-4-hydroxy-3,5-disulfonatooxy-tetrahydropyran-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-3-sulfonatooxy-tetrahydropyran-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-5-hydroxy-piperidine-3-carboxylate
CAS Name:	decasodium (3S,4R,5R)-4-[[(2S,3R,4R,5S,6R)-5-[[(2R,3R,4S,5S,6R)-6-carboxylato-5-[[(2R,3R,4R,5S,6R)-5-[[(2R,3R,4S,5S,6R)-6-carboxylato-4-hydroxy-3,5-disulfonatooxy-2-oxanyl]oxy]-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-4-hydroxy-3-sulfonatooxy-2-oxanyl]oxy]-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-5-hydroxy-3-piperidinecarboxylate
IUPAC Name:	decasodium (3S,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxylato-4-hydroxy-3,5-disulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxypiperidine-3-carboxylate
Traditional Name:	decasodium (3S,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxylato-4-hydroxy-3,5-disulfato-tetrahydropyran-2-yl]oxy-4-hydroxy-6-(sulfatomethyl)-3-(sulfonatoamino)tetrahydropyran-2-yl]oxy-4-hydroxy-3-sulfato-tetrahydropyran-2-yl]oxy-4-hydroxy-6-(sulfatomethyl)-3-(sulfonatoamino)tetrahydropyran-2-yl]oxy-5-hydroxy-nipecotate
Formula:	C₃₀H₃₉N₃Na₁₀O₄₅S₇
MolecularWeight:	1615.97646

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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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C30H49N3O45S7.10Na/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);;;;;;;;;;/q;10*+1/p-10/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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