3''-[N-(HABA-CBz)] 3,5,6'-Tri(N-Benzyloxycarbonyl) Kanamycin A

Analyte Name

3''-[N-(HABA-CBz)] 3,5,6'-Tri(N-Benzyloxycarbonyl) Kanamycin A

Molecular Formula

C54H67N5O21

Molecular Weight

1122.13

Accurate Mass

1141.43

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(OCC5=CC=CC=C5)=O)[C@@H]1O[C@H]6O[C@H](CO)[C@@H](O)[C@H](NC([C@H](O)CCNC(OCC7=CC=CC=C7)=O)=O)[C@H]6O

InChI

InChI=1S/C54H67N5O21/c60-25-38-40(62)39(59-48(68)36(61)21-22-55-51(69)73-26-30-13-5-1-6-14-30)42(64)49(78-38)79-46-34(57-53(71)75-28-32-17-9-3-10-18-32)23-35(58-54(72)76-29-33-19-11-4-12-20-33)47(45(46)67)80-50-44(66)43(65)41(63)37(77-50)24-56-52(70)74-27-31-15-7-2-8-16-31/h1-20,34-47,49-50,60-67H,21-29H2,(H,55,69)(H,56,70)(H,57,71)(H,58,72)(H,59,68)/t34-,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46+,47-,49-,50-/m1/s1

IUPAC

dibenzyl ((1S,3R,4S,5R,6R)-4-(((2S,3R,4S,5S,6R)-4-((R)-4-(((benzyloxy)carbonyl)amino)-2-hydroxybutanamido)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(((2R,3R,4S,5S,6R)-6-((((benzyloxy)carbonyl)amino)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-5-hydroxycyclohexane-1,3-diyl)dicarbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat