Penta-N-Boc Tobramycin Penta-O-carbamoyl

Analyte Name

Penta-N-Boc Tobramycin Penta-O-carbamoyl

Molecular Formula

C48H82N10O24

Molecular Weight

1183.22

Accurate Mass

1182.55

SMILES

O=C(O[C@@H]([C@@H]([C@H](C[C@H]1NC(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)O[C@H]2O[C@@H]([C@H](C[C@H]2NC(OC(C)(C)C)=O)OC(N)=O)CNC(OC(C)(C)C)=O)[C@H]1O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3OC(N)=O)NC(OC(C)(C)C)=O)OC(N)=O)COC(N)=O)N

InChI

InChI=1S/C48H82N10O24/c1-44(2,3)78-39(64)54-18-24-23(72-35(50)60)17-22(57-42(67)81-47(10,11)12)32(70-24)73-27-20(55-40(65)79-45(4,5)6)16-21(56-41(66)80-46(7,8)9)28(31(27)77-38(53)63)74-33-30(76-37(52)62)26(58-43(68)82-48(13,14)15)29(75-36(51)61)25(71-33)19-69-34(49)59/h20-33H,16-19H2,1-15H3,(H2,49,59)(H2,50,60)(H2,51,61)(H2,52,62)(H2,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,58,68)/t20?,21?,22?,23?,24-,25-,26?,27-,28+,29?,30?,31?,32-,33-/m1/s1

IUPAC

tert-butyl ((1S,2R,3S,4S,5R)-5-((tert-butoxycarbonyl)amino)-4-(((2S,3R,4S,5S,6R)-4-((tert-butoxycarbonyl)amino)-3,5-bis(carbamoyloxy)-6-((carbamoyloxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(((2R,3R,5S,6R)-3-((tert-butoxycarbonyl)amino)-6-(((tert-butoxycarbonyl)amino)methyl)-5-(carbamoyloxy)tetrahydro-2H-pyran-2-yl)oxy)-3-(carbamoyloxy)cyclohexyl)carbamate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat