Analyte Name

S-(3-Acetylanisole-d3) Captopril-13CD3

Molecular Formula

13C C17 D3 H20 N O5 S

Molecular Weight

369.455

Accurate Mass

369.152

SMILES

[2H][13C]([2H])([2H])Oc1cccc(c1)C(=O)CSC[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C18H23NO5S/c1-12(17(21)19-8-4-7-15(19)18(22)23)10-25-11-16(20)13-5-3-6-14(9-13)24-2/h3,5-6,9,12,15H,4,7-8,10-11H2,1-2H3,(H,22,23)/t12-,15+/m1/s1/i2+1D3

IUPAC

(2S)-1-[(2S)-2-methyl-3-[2-oxo-2-[3-(trideuterio(113C)methoxy)phenyl]ethyl]sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

SIL Type

Deuterium, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat