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Chemical structure of TLK117 (TER117)

GC30647

TLK117 (TER117)

Also known as (2S)-2-amino-5-[[(2R)-3-benzylsulfanyl-1-[[(R)-carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

TLK117 (TER117), the active metabolite of TLK199, selective inhibits Glutathione S-transferase P1-1 (GSTP1-1) with a Ki of 0·4 μM for GSTP

ChemicalCAS152684-53-2MW473.54FormulaC23H27N3O6S
CAS number
152684-53-2
Molecular weight
473.54
Formula
C23H27N3O6S
Solubility
DMSO ： 150 mg/mL (316·76 mM)
InChIKey
ZPSKWMFLCHMEOY-CMKODMSKSA-N
Catalogue number
GC30647
Brand
GLPBIO
Computed properties PubChem CID 444051 · XLogP -0.9 · TPSA 184 Ų · H-bond donors 5
XLogP
-0.9
TPSA
184 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
33

SMILES C1=CC=C(C=C1)CSC[C@@H](C(=O)N[C@H](C2=CC=CC=C2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N

Computed descriptors from PubChem (CID 444051), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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