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Chemical structure of Trandolaprilate D5

GC64872

Trandolaprilate D5

Also known as (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-(2,3,4,5,6-pentadeuteriophenyl)propyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

Trandolaprilate D5 is a deuterium labeled Trandolaprilate (Trandolaprilat)

ChemicalCAS1356841-27-4MW407.51FormulaC22H25D5N2O5
CAS number
1356841-27-4
Molecular weight
407.51
Formula
C22H25D5N2O5
InChIKey
AHYHTSYNOHNUSH-PPEBBQNBSA-N
Catalogue number
GC64872
Brand
GLPBIO
Computed properties PubChem CID 45040565 · XLogP 1.2 · TPSA 107 Ų · H-bond donors 3
XLogP
1.2
TPSA
107 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
29

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])CC[C@@H](C(=O)O)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O)[2H])[2H]

Computed descriptors from PubChem (CID 45040565), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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