Chem
J-GLOBAL ID:200907026706751520   Nikkaji number:J622.533K

5-[[3-[(E)-2-[(2,6-Dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purin)-8-yl]ethenyl]phenyl]amino]-5-oxopentanoic acid

4-({3-[(1E)-2-(1,3,7-トリメチル-2,6-ジオキソ-2,3,6,7-テトラヒドロ-1H-プリン-8-イル)エテニル]フェニル}カルバモイル)ブタン酸
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: C21H23N5O5
Molecular formula furigana: C21-H23-N5-O5
Molecular weight: 425.445
InChI: InChI=1S/C21H23N5O5/c1-24-15(23-19-18(24)20(30)26(3)21(31)25(19)2)11-10-13-6-4-7-14(12-13)22-16(27)8-5-9-17(28)29/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,22,27)(H,28,29)/b11-10+
InChI key: RGOZJJQMKJGPEV-ZHACJKMWSA-N
SMILES: Cn1c(/C=C/c2cccc(NC(=O)CCCC(=O)O)c2)nc2n(C)c(=O)n(C)c(=O)c12
Systematic name  (3):
  • 5-[[3-[(E)-2-[(2,6-ジオキソ-1,3,7-トリメチル-2,3,6,7-テトラヒドロ-1H-プリン)-8-イル]エテニル]フェニル]アミノ]-5-オキソペンタン酸
  • 4-({3-[(1E)-2-(1,3,7-トリメチル-2,6-ジオキソ-2,3,6,7-テトラヒドロ-1H-プリン-8-イル)エテニル]フェニル}カルバモイル)ブタン酸
  • 4-({3-[(1E)-2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]phenyl}carbamoyl)butanoic acid
Other name (1):
  • 5-[[3-[(E)-2-[(2,6-Dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purin)-8-yl]ethenyl]phenyl]amino]-5-oxopentanoic acid
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