Atazanavir-d4
Product Code
TRC-A790183-75MG
CAS Number
Product Format
Neat
Molecular Formula
C38 D4 H48 N6 O7
Molecular Weight
708.88
Product Categories
TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials
Product Type
Stable Isotope LabelledProduct Information
Chemical Data
Analyte Name
Atazanavir-d4
CAS Number
1132747-16-0
Molecular Formula
C38 D4 H48 N6 O7
Molecular Weight
708.88
Accurate Mass
708.415
SMILES
[2H]c1nc(c([2H])c([2H])c1[2H])c2ccc(CN(C[C@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)cc2
InChI
InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1/i12D,13D,16D,21D
IUPAC
methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[[4-(3,4,5,6-tetradeuteriopyridin-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SIL Type
Deuterium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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