Chem
J-GLOBAL ID：201407039343681554   Nikkaji number：J3.243.698F

6-[7-[[(S)-1,3-Dicarboxypropyl]amino]-7-oxoheptyl]-2-amino-7H-pyrrolo[2,3-d]pyrimidine-4(3H)-one

(2S)-2-(7-{2-アミノ-4-オキソ-3H,4H,7H-ピロロ[2,3-d]ピリミジン-6-イル}ヘプタンアミド)ペンタン二酸
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： C18H25N5O6
Molecular formula furigana： C18-H25-N5-O6
Molecular weight： 407.427
InChI： InChI=1S/C18H25N5O6/c19-18-22-15-11(16(27)23-18)9-10(20-15)5-3-1-2-4-6-13(24)21-12(17(28)29)7-8-14(25)26/h9,12H,1-8H2,(H,21,24)(H,25,26)(H,28,29)(H4,19,20,22,23,27)/t12-/m0/s1
InChI key： YFTJOYZLYVUUOD-LBPRGKRZSA-N
SMILES： Nc1nc2[nH]c(CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2c(=O)[nH]1
Systematic name  (3)：
  • 6-[7-[[(S)-1,3-ジカルボキシプロピル]アミノ]-7-オキソヘプチル]-2-アミノ-7H-ピロロ[2,3-d]ピリミジン-4(3H)-オン
  • (2S)-2-(7-{2-アミノ-4-オキソ-3H,4H,7H-ピロロ[2,3-d]ピリミジン-6-イル}ヘプタンアミド)ペンタン二酸
  • (2S)-2-(7-{2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-6-yl}heptanamido)pentanedioic acid
Other name (1)：
  • 6-[7-[[(S)-1,3-Dicarboxypropyl]amino]-7-oxoheptyl]-2-amino-7H-pyrrolo[2,3-d]pyrimidine-4(3H)-one
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