Chem
J-GLOBAL ID：200907085180820103   Nikkaji number：J1.627.205A

LY-338529

N-[4-[2-[(2-アミノ-4-オキソ-4,7-ジヒドロ-3H-ピロロ[2,3-d]ピリミジン)-5-イル]エチル]ベンゾイル]-L-バリン
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： C20H23N5O4
Molecular formula furigana： C20-H23-N5-O4
Molecular weight： 397.435
InChI： InChI=1S/C20H23N5O4/c1-10(2)15(19(28)29)23-17(26)12-6-3-11(4-7-12)5-8-13-9-22-16-14(13)18(27)25-20(21)24-16/h3-4,6-7,9-10,15H,5,8H2,1-2H3,(H,23,26)(H,28,29)(H4,21,22,24,25,27)/t15-/m0/s1
InChI key： MYENGRJSPURSQB-HNNXBMFYSA-N
SMILES： CC(C)[C@H](NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1)C(=O)O
Systematic name  (3)：
  • N-[4-[2-[(2-アミノ-4-オキソ-4,7-ジヒドロ-3H-ピロロ[2,3-d]ピリミジン)-5-イル]エチル]ベンゾイル]-L-バリン
  • (2S)-2-{[4-(2-{2-アミノ-4-オキソ-3H,4H,7H-ピロロ[2,3-d]ピリミジン-5-イル}エチル)フェニル]ホルムアミド}-3-メチルブタン酸
  • (2S)-2-{[4-(2-{2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}-3-methylbutanoic acid
Other name (2)：
  • N-[4-[2-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine)-5-yl]ethyl]benzoyl]-L-valine
  • LY-338529
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