Analyte Name

(2R,3'S) Benazepril tert-Butyl Ester-d5

CAS Number

1356841-36-5

Molecular Formula

C28 2H5 H31 N2 O5

Molecular Weight

485.63

Accurate Mass

485.2938

SMILES

[2H]c1c([2H])c([2H])c(CC[C@@H](N[C@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)C(=O)OCC)c([2H])c1[2H]

InChI

InChI=1S/C28H36N2O5/c1-5-34-27(33)23(17-15-20-11-7-6-8-12-20)29-22-18-16-21-13-9-10-14-24(21)30(26(22)32)19-25(31)35-28(2,3)4/h6-14,22-23,29H,5,15-19H2,1-4H3/t22-,23+/m0/s1/i6D,7D,8D,11D,12D

IUPAC

ethyl (2R)-2-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-(2,3,4,5,6-pentadeuteriophenyl)butanoate

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat

API Family

Benazepril