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

Analyte Name

N-[2-[2-[2-[(N-Biotinyl-caproylamino)-ethoxy)ethoxyl]-4-[2-(

CAS Number

207971-25-3

Molecular Formula

C46 H70 F3 N7 O19 S

Molecular Weight

1114.14

Accurate Mass

1113.4399

SMILES

OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1OCC(CO[C@H]2[C@H](O)[C@H](O)C(O)O[C@@H]2CO)NC(=O)c3ccc(cc3OCCOCCOCCNC(=O)CCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)C6=NN6C(F)(F)F

InChI

InChI=1S/C46H70F3N7O19S/c47-46(48,49)56-41(55-56)24-9-10-26(42(65)52-25(21-72-39-29(19-57)74-43(66)37(63)35(39)61)22-73-40-30(20-58)75-44(67)38(64)36(40)62)28(18-24)71-17-16-70-15-14-69-13-12-51-33(60)7-2-1-5-11-50-32(59)8-4-3-6-31-34-27(23-76-31)53-45(68)54-34/h9-10,18,25,27,29-31,34-40,43-44,57-58,61-64,66-67H,1-8,11-17,19-23H2,(H,50,59)(H,51,60)(H,52,65)(H2,53,54,68)/t25?,27-,29+,30+,31-,34-,35+,36+,37-,38-,39+,40+,43?,44?,56?/m0/s1

IUPAC

2-[2-[2-[2-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]-N-[1,3-bis[[(2R,3S,4R,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy]propan-2-yl]-4-[1-(trifluoromethyl)diazirin-3-yl]benzamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)