Chemical Compound

Inhibitor TKB-272

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Inhibitor TKB-272 chemical structure
Primary Record

Inhibitor TKB-272

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
169491046
SMILES
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](C4=NC5=C(S4)C=CC(=C5)F)O)C
Canonical SMILES
CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)c1nc3cc(F)ccc3s1)C2(C)C

Names & Synonyms

  • Inhibitor TKB-272
  • hemithioacetal bound form
  • (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide