Molecular Formula: C₅₈H₈₆ClN₅O₄₁

Molecular weight: 1544.76534

InChi: InChI=1S/C58H85N5O37.ClHO4/c1-3-62-17-6-4-5-7-18(17)63(49-27(62)50(85)61(2)58(86)60-49)9-8-26(70)59-10-19-42-28(71)35(78)51(87-19)95-43-20(11-64)89-53(37(80)30(43)73)97-45-22(13-66)91-55(39(82)32(45)75)99-47-24(15-68)93-57(41(84)34(47)77)100-48-25(16-69)92-56(40(83)33(48)76)98-46-23(14-67)90-54(38(81)31(46)74)96-44-21(12-65)88-52(94-42)36(79)29(44)72;2-1(3,4)5/h4-7,19-25,28-48,51-57,64-69,71-84H,3,8-16H2,1-2H3;(H,2,3,4,5)/t19-,20-,21-,22-,23-,24-,25-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-,54-,55-,56-,57-;/m1./s1

InChi Key: OJAGIBFVOOOASX-KZIMVJBLSA-N

SMILES: c12c(n(c3c([n+]1CC)cccc3)CCC(=O)NC[C@@H]1[C@@H]3[C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]5[C@@H]([C@H]([C@@H](O3)O[C@@H]5CO)O)O)O[C@@H]4CO)O)O)O[C@@H]1CO)O)O)O)O)O)O)O)O)O)O)nc(=O)n(c2=O)C.[Cl](=O)(=O)(=O)[O-]

Chemical Name
N-(6-deoxy-β-cyclodextrin-6-yl)-3-(3-methylisoalloxazin-10-yl)propanamide

External Links
PubChem

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