N-[2-[2-[2-[(N-Biotinyl-caproylamino)-ethoxy)ethoxyl]-4-[2-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]-1,3-bis(1,6-anhydro-2,3-O-isopropylidene-Beta-D-mannopyranosyl-4-yloxy)-2-propylamine

Analyte Name

N-[2-[2-[2-[(N-Biotinyl-caproylamino)-ethoxy]ethoxyl]-4-[2-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]-1,3-bis(1,6-anhydro-2,3-O-isopropylidene-beta-D-mannopyranosyl-4-yloxy)]-2-propylamine

Molecular Formula

C52H74F3N7O17S

Molecular Weight

1158.24

Accurate Mass

1157.48

SMILES

O=C(C1=C(OCCOCCOCCNC(CCCCCNC(CCCCC2C(NC(N3)=O)C3CS2)=O)=O)C=C(C4(C(F)(F)F)N=N4)C=C1)NC(COC([C@@H]5C6OC(O5)(C)C)C7OC6OC7)CO[C@@H]([C@@H]8C9OC(O8)(C)C)C%10OC9OC%10

InChI

InChI=1S/C52H74F3N7O17S/c1-49(2)76-41-39(33-25-72-46(74-33)43(41)78-49)70-23-29(24-71-40-34-26-73-47(75-34)44-42(40)77-50(3,4)79-44)58-45(65)30-14-13-28(51(61-62-51)52(53,54)55)22-32(30)69-21-20-68-19-18-67-17-16-57-37(64)11-6-5-9-15-56-36(63)12-8-7-10-35-38-31(27-80-35)59-48(66)60-38/h13-14,22,29,31,33-35,38-44,46-47H,5-12,15-21,23-27H2,1-4H3,(H,56,63)(H,57,64)(H,58,65)(H2,59,60,66)/t29?,31?,33?,34?,35?,38?,39-,40?,41-,42-,43?,44?,46?,47?/m1/s1

IUPAC

N-(1-(((8R,8aR)-2,2-dimethylhexahydro-4,7-epoxy[1,3]dioxolo[4,5-c]oxepin-8-yl)oxy)-3-(((8aR)-2,2-dimethylhexahydro-4,7-epoxy[1,3]dioxolo[4,5-c]oxepin-8-yl)oxy)propan-2-yl)-2-((10,17-dioxo-21-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6-dioxa-9,16-diazahenicosyl)oxy)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat