Analyte Name

N-Hippuric acyl Telotristat Ethyl Ester

Molecular Formula

C36H33ClF3N7O5

Molecular Weight

736.15

Accurate Mass

735.22

SMILES

O=C([C@H](CC1=CC=C(C=C1)C2=NC(N)=NC(O[C@@H](C(F)(F)F)C3=CC=C(C=C3N4N=C(C=C4)C)Cl)=C2)NC(CNC(C5=CC=CC=C5)=O)=O)OCC

InChI

InChI=1S/C36H33ClF3N7O5/c1-3-51-34(50)28(43-30(48)20-42-33(49)24-7-5-4-6-8-24)17-22-9-11-23(12-10-22)27-19-31(45-35(41)44-27)52-32(36(38,39)40)26-14-13-25(37)18-29(26)47-16-15-21(2)46-47/h4-16,18-19,28,32H,3,17,20H2,1-2H3,(H,42,49)(H,43,48)(H2,41,44,45)/t28-,32+/m0/s1

IUPAC

Ethyl (S)-3-(4-(2-Amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(2-benzamidoacetamido)propanoate

Country of Origin

CANADA

Product Format

Neat