Products 2892688-16-1

CAS 2892688-16-1 appears in our catalog under these names: TKB245, TKB245, 98.98%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 10mg, 5mg, 50 mg, 10 mg, 5 mg, 25 mg.

TKB245
GLPBio
  • size: 1mg, 10mg, 5mg
  • Variants: 3
from 1130.62
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TKB245, 98.98%
MedChemExpress
  • size: 50 mg, 10 mg, 5 mg, 25 mg
  • Variants: 4
from 2158.72
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Structural formula: {0} (CAS {1})

(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-N-[(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CAS 2892688-16-1) is a chemical compound with the molecular formula C30H35F4N5O5S and a molecular weight of 653.7 g/mol. IUPAC name: (1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-N-[(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide. InChIKey: UGXSZZAITMURED-MCUUEWDYSA-N.

Identity
Molecular formulaC30H35F4N5O5S
Molecular weight653.7 g/mol
IUPAC name(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-N-[(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
InChIKeyUGXSZZAITMURED-MCUUEWDYSA-N
SMILESCC1([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(=O)C4=NC5=C(C=CC=C5S4)F)C

Computed by PubChem (NCBI)

Synonyms: orb1944420, compound 5 [PMID: 37756225]
Isomers (same molecular formula)
(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-N-[(2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide C30H35F4N5O5S