Chem
J-GLOBAL ID：201407041223457540   Nikkaji number：J3.317.535C

N-[4-[4-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-6-yl)butyl]benzoyl]-L-glutamic acid

N-[4-[4-(2-アミノ-4-オキソ-4,7-ジヒドロ-1H-ピロロ[2,3-d]ピリミジン-6-イル)ブチル]ベンゾイル]-L-グルタミン酸
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： C22H25N5O6
Molecular formula furigana： C22-H25-N5-O6
Molecular weight： 455.471
InChI： InChI=1S/C22H25N5O6/c23-22-26-18-15(20(31)27-22)11-14(24-18)4-2-1-3-12-5-7-13(8-6-12)19(30)25-16(21(32)33)9-10-17(28)29/h5-8,11,16H,1-4,9-10H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)/t16-/m0/s1
InChI key： CEPQCJFDTGQKDN-INIZCTEOSA-N
SMILES： Nc1nc(=O)c2cc(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2[nH]1
Systematic name  (3)：
  • N-[4-[4-(2-アミノ-4-オキソ-4,7-ジヒドロ-1H-ピロロ[2,3-d]ピリミジン-6-イル)ブチル]ベンゾイル]-L-グルタミン酸
  • (2S)-2-{[4-(4-{2-アミノ-4-オキソ-1H,4H,7H-ピロロ[2,3-d]ピリミジン-6-イル}ブチル)フェニル]ホルムアミド}ペンタン二酸
  • (2S)-2-{[4-(4-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-6-yl}butyl)phenyl]formamido}pentanedioic acid
Other name (1)：
  • N-[4-[4-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-6-yl)butyl]benzoyl]-L-glutamic acid
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