Chem
J-GLOBAL ID：200907025074648480   Nikkaji number：J1.245.592E

3-[5-Hydroxy-1-(6-chloro-3-pyridazinyl)-1H-pyrazol-4-yl]-N-benzoylalanine methyl ester

3-[5-ヒドロキシ-1-(6-クロロ-3-ピリダジニル)-1H-ピラゾール-4-イル]-N-ベンゾイルアラニンメチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H16ClN5O4
Molecular formula furigana： C18-H16-CL-N5-O4
Molecular weight： 401.810
InChI： InChI=1S/C18H16ClN5O4/c1-28-18(27)13(21-16(25)11-5-3-2-4-6-11)9-12-10-20-24(17(12)26)15-8-7-14(19)22-23-15/h2-8,10,13,26H,9H2,1H3,(H,21,25)/t13-/m0/s1
InChI key： BDIGYXRPKGJIFX-ZDUSSCGKSA-N
SMILES： COC(=O)[C@H](Cc1cnn(c1O)c1ccc(Cl)nn1)NC(=O)c1ccccc1
Systematic name  (3)：
  • 3-[5-ヒドロキシ-1-(6-クロロ-3-ピリダジニル)-1H-ピラゾール-4-イル]-N-ベンゾイルアラニンメチル
  • メチル (2S)-3-[1-(6-クロロピリダジン-3-イル)-5-ヒドロキシ-1H-ピラゾール-4-イル]-2-(フェニルホルムアミド)プロパノアート
  • methyl (2S)-3-[1-(6-chloropyridazin-3-yl)-5-hydroxy-1H-pyrazol-4-yl]-2-(phenylformamido)propanoate
Other name (1)：
  • 3-[5-Hydroxy-1-(6-chloro-3-pyridazinyl)-1H-pyrazol-4-yl]-N-benzoylalanine methyl ester
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