Analyte Name

O-2,4,6-Triisopropylbenzenesulfonyl Penta-N-Boc Tobramycin

CAS Number

220612-64-6

Molecular Formula

C58H99N5O21S

Molecular Weight

1234.49

Accurate Mass

1233.66

SMILES

O[C@@H]1[C@@H](CNC(OC(C)(C)C)=O)O[C@H](O[C@@H]([C@@H]2O)[C@H](NC(OC(C)(C)C)=O)C[C@H](NC(OC(C)(C)C)=O)[C@@H]2O[C@@H]3[C@H](O)C(NC(OC(C)(C)C)=O)[C@H](O)[C@@H](COS(=O)(C4=C(C(C)C)C=C(C(C)C)C=C4C(C)C)=O)O3)[C@H](NC(OC(C)(C)C)=O)C1

InChI

InChI=1S/C58H99N5O21S/c1-28(2)31-22-32(29(3)4)46(33(23-31)30(5)6)85(73,74)75-27-39-41(65)40(63-53(72)84-58(19,20)21)42(66)48(77-39)79-45-35(61-51(70)82-56(13,14)15)24-34(60-50(69)81-55(10,11)12)44(43(45)67)78-47-36(62-52(71)83-57(16,17)18)25-37(64)38(76-47)26-59-49(68)80-54(7,8)9/h22-23,28-30,34-45,47-48,64-67H,24-27H2,1-21H3,(H,59,68)(H,60,69)(H,61,70)(H,62,71)(H,63,72)/t34-,35+,36-,37+,38-,39-,40?,41-,42-,43+,44-,45+,47-,48-/m1/s1

IUPAC

((2R,3S,5R,6S)-6-(((1S,2S,3R,4R,6S)-4,6-bis((tert-butoxycarbonyl)amino)-3-(((2R,3R,5S,6R)-3-((tert-butoxycarbonyl)amino)-6-(((tert-butoxycarbonyl)amino)methyl)-5-hydroxytetrahydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-4-((tert-butoxycarbonyl)amino)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)methyl 2,4,6-triisopropylbenzenesulfonate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat