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Chemical structure of Trandolaprilat (hydrate)

GC46233

Trandolaprilat (hydrate)

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

Trandolaprilat (hydrate) is a potent angiotensin-converting enzyme (ACE) inhibitor

ChemicalCAS951393-55-8MW420.5FormulaC22H30N2O5 • H2O
CAS number
951393-55-8
Molecular weight
420.5
Formula
C22H30N2O5 • H2O
Solubility
DMSO： slightly soluble,Methanol： slightly, heated, sonicated
InChIKey
RCVUTQVXMHPLKS-CNTNIUBLSA-N
Catalogue number
GC46233
Brand
GLPBIO
Computed properties PubChem CID 45040562 · TPSA 108 Ų · H-bond donors 4 · H-bond acceptors 7
TPSA
108 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
30

SMILES C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O.O

Computed descriptors from PubChem (CID 45040562), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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