Chem
J-GLOBAL ID：200907038932150180   Nikkaji number：J532.537D

(R)-2-[[4-[2-[(2-Amino-3,7-dihydro-4-oxo-4H-pyrrolo[2,3-d]pyrimidin)-5-yl]ethyl]benzoyl]amino]pentanedioic acid

(2R)-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}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： C20H21N5O6
Molecular formula furigana： C20-H21-N5-O6
Molecular weight： 427.417
InChI： InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1
InChI key： WBXPDJSOTKVWSJ-CYBMUJFWSA-N
SMILES： Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O)c2c(=O)[nH]1
Systematic name  (3)：
  • (R)-2-[[4-[2-[(2-アミノ-3,7-ジヒドロ-4-オキソ-4H-ピロロ[2,3-d]ピリミジン)-5-イル]エチル]ベンゾイル]アミノ]ペンタン二酸
  • (2R)-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}ペンタン二酸
  • (2R)-2-{[4-(2-{2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid
Other name (1)：
  • (R)-2-[[4-[2-[(2-Amino-3,7-dihydro-4-oxo-4H-pyrrolo[2,3-d]pyrimidin)-5-yl]ethyl]benzoyl]amino]pentanedioic acid
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