Analyte Name

tert-Butyl ((R)-4-Oxo-4-(((R)-4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)amino)-1-(2,4,5-trifluorophenyl)butan-2-yl)carbamate

CAS Number

2088771-62-2

Molecular Formula

C31 H31 F9 N6 O4

Molecular Weight

722.601

Accurate Mass

722.226

SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F)Cc4cc(F)c(F)cc4F

InChI

InChI=1S/C31H31F9N6O4/c1-30(2,3)50-29(49)42-17(6-15-8-21(34)23(36)12-19(15)32)10-26(47)41-18(7-16-9-22(35)24(37)13-20(16)33)11-27(48)45-4-5-46-25(14-45)43-44-28(46)31(38,39)40/h8-9,12-13,17-18H,4-7,10-11,14H2,1-3H3,(H,41,47)(H,42,49)/t17-,18-/m1/s1

IUPAC

tert-butyl N-[(2R)-4-oxo-4-[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat