Analyte Name

(2S,3aS,6aS)1-[(2S)-2-[[(1S)-3-Cyclohexyl-1-(ethoxycarbonyl)-propyl]amino]propanoyl]octahydrocyclopenta[b]-pyrrole-2-carboxylic Acid Hydrochloride (Hexahydroramipril Hydrochloride)

CAS Number

885516-61-0

Molecular Formula

C23 H38 N2 O5 . Cl H

Molecular Weight

459.02

Accurate Mass

458.2548

SMILES

Cl.CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O

InChI

InChI=1S/C23H38N2O5.ClH/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28, /m0./s1, 1H/t15-,17-,18-,19-,20-, /h15-20,24H,3-14H2,1-2H3,(H,27,28)

IUPAC

(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat