(S)-Lisinopril Dimer-d5

Analyte Name

(S)-Lisinopril Dimer-d5

CAS Number

1356847-97-6

Molecular Formula

C42 D5 H55 N6 O9

Molecular Weight

797.991

Accurate Mass

797.474

SMILES

[2H]c1c([2H])c([2H])c(CC[C@H](N[C@@H](CCCCNC(=O)[C@H](CCc2ccccc2)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)O)C(=O)N4CCC[C@H]4C(=O)O)C(=O)O)c([2H])c1[2H]

InChI

InChI=1S/C42H60N6O9/c43-25-9-7-17-32(38(50)47-27-11-19-35(47)41(54)55)45-31(23-21-29-13-3-1-4-14-29)37(49)44-26-10-8-18-33(39(51)48-28-12-20-36(48)42(56)57)46-34(40(52)53)24-22-30-15-5-2-6-16-30/h1-6,13-16,31-36,45-46H,7-12,17-28,43H2,(H,44,49)(H,52,53)(H,54,55)(H,56,57)/t31-,32-,33-,34-,35-,36-/m0/s1/i2D,5D,6D,15D,16D

IUPAC

(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[[(5S)-5-[[(1S)-1-carboxy-3-(2,3,4,5,6-pentadeuteriophenyl)propyl]amino]-6-[(2S)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]amino]-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat