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Chemical structure of H-Val-Pro-Pro-OH TFA

GC34326

H-Val-Pro-Pro-OH TFA

Also known as (2S)-1-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid

H-Val-Pro-Pro-OH (TFA), a milk-derived proline peptides derivative, is an inhibitor of Angiotensin I converting enzyme (ACE), with an IC50 of 9 μM

ChemicalCAS2828433-08-3MW425.4FormulaC17H26F3N3O6
CAS number
2828433-08-3
Molecular weight
425.4
Formula
C17H26F3N3O6
Solubility
Water ： ≥ 160 mg/mL (376·12 mM)
InChIKey
DJQRQUZDHQFFTH-LFELFHSZSA-N
Catalogue number
GC34326
Brand
GLPBIO
Computed properties PubChem CID 137319716 · TPSA 141 Ų · H-bond donors 3 · H-bond acceptors 10
TPSA
141 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
29

SMILES CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)N.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 137319716), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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