Analyte Name

Vorapaxar Amino-2-oxoacetic Acid

Molecular Formula

C28H29FN2O5

Molecular Weight

492.55

SMILES

FC1=CC=CC(C(C=C2)=CN=C2/C=C/[C@H]3[C@@](CC[C@@H](NC(C(O)=O)=O)C4)([H])[C@]4([H])C[C@]5([H])[C@@]3([H])[C@@H](C)OC5=O)=C1

InChI

InChI=1S/C28H29FN2O5/c1-15-25-23(10-7-20-6-5-17(14-30-20)16-3-2-4-19(29)11-16)22-9-8-21(31-26(32)27(33)34)12-18(22)13-24(25)28(35)36-15/h2-7,10-11,14-15,18,21-25H,8-9,12-13H2,1H3,(H,31,32)(H,33,34)/b10-7+/t15-,18+,21-,22-,23+,24-,25+/m1/s1

Country of Origin

CANADA

Product Format

Neat