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Molecular Formula: C55H79N5O31
Molecular weight: 1306.23066
InChi: InChI=1S/C55H79N5O31/c1-14-39-26(63)33(70)49(79-14)87-41-16(3)81-51(35(72)28(41)65)89-43-18(5)83-53(37(74)30(43)67)91-45-22(12-56-23(61)13-60-47(76)24-46(58-55(60)77)59(7)21-11-9-8-10-20(21)57-24)84-54(38(75)31(45)68)90-44-19(6)82-52(36(73)29(44)66)88-42-17(4)80-50(34(71)27(42)64)86-40-15(2)78-48(85-39)32(69)25(40)62/h8-11,14-19,22,25-45,48-54,62-75H,12-13H2,1-7H3,(H,56,61)/t14-,15-,16-,17-,18-,19-,22-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,48-,49-,50-,51-,52-,53-,54-/m1/s1
InChi Key: LJDJFKLPGQMLOY-RZYWDWCQSA-N
SMILES: c12c(n(c3c(n2)cccc3)C)nc(=O)n(c1=O)CC(=O)NC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C)O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]4[C@@H]([C@H]([C@@H](O2)O[C@@H]4C)O)O)O[C@@H]3C)O)O)O[C@@H]1C)O)O)O)O)O)O)O)O)O)O
Chemical Name
N-(6-deoxy-β-cyclodextrin-6-yl)-2-(10-methylisoalloxazin-3-yl)acetamide
External Links
PubChem