Chemical Compound

N-[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N''-(2-{2-[2-({2-methyl-8-[4-(trifluoromethyl)phenyl]-2H,8H-pyrazolo[3,4-b]indol-5-yl}formamido)ethoxy]ethoxy}ethyl)-3,6,9,12-tetraoxatetradecanediamide (Compound 3)

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N-[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N''-(2-{2-[2-({2-methyl-8-[4-(trifluoromethyl)phenyl]-2H,8H-pyrazolo[3,4-b]indol-5-yl}formamido)ethoxy]ethoxy}ethyl)-3,6,9,12-tetraoxatetradecanediamide (Compound 3) 结构式
Primary record

N-[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N''-(2-{2-[2-({2-methyl-8-[4-(trifluoromethyl)phenyl]-2H,8H-pyrazolo[3,4-b]indol-5-yl}formamido)ethoxy]ethoxy}ethyl)-3,6,9,12-tetraoxatetradecanediamide (Compound 3)

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
168253160
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCOCC(=O)NCCOCCOCCNC(=O)C4=CC5=C(C=C4)N(C6=NN(C=C56)C)C7=CC=C(C=C7)C(F)(F)F)O
Canonical SMILES
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCC(=O)NCCOCCOCCNC(=O)c2ccc3c(c2)c2cn(C)nc2n3-c2ccc(C(F)(F)F)cc2)C(C)(C)C)cc1

名称与同义词

  • SCHEMBL25518917
  • BDBM716333
  • US20250032625, Compound 3
  • N-[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N''-(2-{2-[2-({2-methyl-8-[4-(trifluoromethyl)phenyl]-2H,8H-pyrazolo[3,4-b]indol-5-yl}formamido)ethoxy]ethoxy}ethyl)-3,6,9,12-tetraoxatetradecanediamide (Compound 3)