Chemical Compound

4-(3,5-difluoropyridin-2-yl)-N-(11-(((2S)-1-((4R)-4-hydroxy-2-((S)-5-methyl-5-(4-(4-methylthiazol-5-yl)phenyl)-4-oxo-4,5-dihydro-1H-imidazol-2-yl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide (2 Single Diastereomers)

4-(3,5-difluoropyridin-2-yl)-N-(11-(((2S)-1-((4R)-4-hydroxy-2-((S)-5-methyl-5-(4-(4-methylthiazol-5-yl)phenyl)-4-oxo-4,5-dihydro-1H-imidazol-2-yl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide (2 Single Diastereomers) 结构式
Primary record

4-(3,5-difluoropyridin-2-yl)-N-(11-(((2S)-1-((4R)-4-hydroxy-2-((S)-5-methyl-5-(4-(4-methylthiazol-5-yl)phenyl)-4-oxo-4,5-dihydro-1H-imidazol-2-yl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide (2 Single Diastereomers)

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
142572383
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@]3(C(=O)NC(=N3)[C@@H]4C[C@H](CN4C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)C5=CC6=C(C=C5CS(=O)(=O)C)C7=CN(C(=O)C8=C7C(=CN8)CN6C9=C(C=C(C=N9)F)F)C)O)C
Canonical SMILES
Cc1ncsc1-c1ccc([C@]2(C)N=C([C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)c3cc4c(cc3CS(C)(=O)=O)-c3cn(C)c(=O)c5[nH]cc(c35)CN4c3ncc(F)cc3F)C(C)(C)C)NC2=O)cc1

名称与同义词

  • CHEMBL5761629
  • SCHEMBL23897190
  • BDBM536299
  • US11242344, Example 1005.1
  • 4-(3,5-difluoropyridin-2-yl)-N-(11-(((2S)-1-((4R)-4-hydroxy-2-((S)-5-methyl-5-(4-(4-methylthiazol-5-yl)phenyl)-4-oxo-4,5-dihydro-1H-imidazol-2-yl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide (2 Single Diastereomers)