Analyte Name

5-[N-(HABA-Cbz)] 3,6'-Di(N-benzyloxycarbonyl) Kanamycin A

Molecular Formula

C46H61N5O19

Molecular Weight

988.0

Accurate Mass

987.4

SMILES

O[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CNC(OCC3=CC=CC=C3)=O)O2)[C@@H](NC(OCC4=CC=CC=C4)=O)C[C@@H](NC([C@H](O)CCNC(OCC5=CC=CC=C5)=O)=O)[C@@H]1O[C@H]6O[C@H](CO)[C@@H](O)[C@H](N)[C@H]6O

InChI

InChI=1S/C46H61N5O19/c47-32-33(54)31(20-52)68-42(35(32)56)69-39-27(50-41(60)29(53)16-17-48-44(61)64-21-24-10-4-1-5-11-24)18-28(51-46(63)66-23-26-14-8-3-9-15-26)40(38(39)59)70-43-37(58)36(57)34(55)30(67-43)19-49-45(62)65-22-25-12-6-2-7-13-25/h1-15,27-40,42-43,52-59H,16-23,47H2,(H,48,61)(H,49,62)(H,50,60)(H,51,63)/t27-,28?,29-,30-,31-,32+,33-,34-,35-,36+,37-,38-,39+,40-,42-,43-/m1/s1

IUPAC

benzyl ((1S,2R,3R,4S,5R)-4-(((2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-((R)-4-(((benzyloxy)carbonyl)amino)-2-hydroxybutanamido)-2-(((2R,3R,4S,5S,6R)-6-((((benzyloxy)carbonyl)amino)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)carbamate

Alternate CAS Number

racemic: 87508-35-8

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat