Boceprevir Metabolite M4
Product Code
TRC-B674520
CAS Number
Product Format
Neat
Molecular Formula
C19 H33 N3 O4
Molecular Weight
367.48
Product Categories
TRC, Enzyme inhibitors, Anti-Hepatitis agents, Pharmaceutical Toxicology Reference Materials
Product Type
MetaboliteProduct Information
Chemical Data
Analyte Name
Boceprevir metabolite M4
CAS Number
816444-90-3
Molecular Formula
C19 H33 N3 O4
Molecular Weight
367.48
Accurate Mass
367.2471
SMILES
CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C)C(C)(C)C
InChI
InChI=1S/C19H33N3O4/c1-17(2,3)13(20-16(26)21-18(4,5)6)14(23)22-9-10-11(19(10,7)8)12(22)15(24)25/h10-13H,9H2,1-8H3,(H,24,25)(H2,20,21,26)/t10-,11-,12-,13+/m0/s1
IUPAC
(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat