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Chemical structure of Enalapril D5 maleate (MK-421 (D5 maleate))

GC30421

Enalapril D5 maleate (MK-421 (D5 maleate))

Also known as (Z)-but-2-enedioic acid;(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Enalapril (MK-421) D5 maleate is deuterium labeled Enalapril, which is an angiotensin converting enzyme (ACE) inhibitor

ChemicalCAS349554-02-5MW497.55FormulaC24H27D5N2O9
CAS number
349554-02-5
Molecular weight
497.55
Formula
C24H27D5N2O9
Solubility
DMSO ： ≥ 50 mg/mL (100·49 mM); H2O ： 33·33 mg/mL (66·99 mM; Need ultrasonic and warming)
InChIKey
OYFJQPXVCSSHAI-DQNQMXAMSA-N
Catalogue number
GC30421
Brand
GLPBIO
Computed properties PubChem CID 71316326 · TPSA 171 Ų · H-bond donors 4 · H-bond acceptors 10
TPSA
171 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
35

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)[2H])[2H].C(=C\C(=O)O)\C(=O)O

Computed descriptors from PubChem (CID 71316326), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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