Trandolaprilat Methyl Ester

Analyte Name

(2S,3aR,7aS)-1-[N-[(S)-1-carboxy-3-phenylpropyl]-L-alanyl]hexahydro-2-indolinecarboxylic acid 1-methyl ester

CAS Number

118194-41-5

Molecular Formula

C23 H32 N2 O5

Molecular Weight

416.51

Accurate Mass

416.2311

SMILES

COC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O

InChI

InChI=1S/C23H32N2O5/c1-15(24-18(23(29)30-2)13-12-16-8-4-3-5-9-16)21(26)25-19-11-7-6-10-17(19)14-20(25)22(27)28/h3-5,8-9,15,17-20,24H,6-7,10-14H2,1-2H3,(H,27,28)/t15-,17+,18-,19-,20-/m0/s1

IUPAC

(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-methoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat