Analyte Name

Captopril-N-acetylcysteine Disulfide

CAS Number

78636-31-4

Molecular Formula

C14 H22 N2 O6 S2

Molecular Weight

378.464

Accurate Mass

378.092

SMILES

C[C@H](CSSC[C@H](NC(=O)C)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O

InChI

InChI=1S/C14H22N2O6S2/c1-8(12(18)16-5-3-4-11(16)14(21)22)6-23-24-7-10(13(19)20)15-9(2)17/h8,10-11H,3-7H2,1-2H3,(H,15,17)(H,19,20)(H,21,22)/t8-,10+,11+/m1/s1

IUPAC

(2S)-1-[(2S)-3-[[(2R)-2-acetamido-2-carboxyethyl]disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat