Trandolaprilat-d3 Monohydrate

Analyte Name

Trandolaprilat-d3 Monohydrate

Molecular Formula

C22H27D3N2O5• H2O

Molecular Weight

423.53

Accurate Mass

423.24

SMILES

[H][C@@]([C@@]1([H])C[C@H]2C(O)=O)(CCCC1)N2C([C@H]([C@@]([2H])([2H])[2H])N[C@H](C(O)=O)CCC3=CC=CC=C3)=O.O

InChI

InChI=1S/C22H30N2O5.H2O/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29;/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29);1H2/t14?,16-,17+,18+,19+;/m1./s1/i1D3;

IUPAC

(2S,3aR,7aS)-1-(((S)-1-carboxy-3-phenylpropyl)-L-alanyl-3,3,3-d3)octahydro-1H-indole-2-carboxylic acid hydrate

Unlabelled CAS Number

951393-55-8

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)