Chem
J-GLOBAL ID：200907003303288901   Nikkaji number：J2.041.866D

N-(1-Oxo-2,3-dihydro-1H-isoindole-4-yl)-3-(5′-oxo-5′-adenosylamino)propionamide

N-(1-オキソ-2,3-ジヒドロ-1H-イソインドール-4-イル)-3-(5′-オキソ-5′-アデノシルアミノ)プロピオンアミド
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： C21H22N8O6
Molecular formula furigana： C21-H22-N8-O6
Molecular weight： 482.457
InChI： InChI=1S/C21H22N8O6/c22-17-13-18(26-7-25-17)29(8-27-13)21-15(32)14(31)16(35-21)20(34)23-5-4-12(30)28-11-3-1-2-9-10(11)6-24-19(9)33/h1-3,7-8,14-16,21,31-32H,4-6H2,(H,23,34)(H,24,33)(H,28,30)(H2,22,25,26)/t14-,15+,16-,21+/m0/s1
InChI key： YWUXFOWAJOESBG-KGWSRGFLSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCC(=O)Nc1cccc2C(=O)NCc12
Systematic name  (3)：
  • N-(1-オキソ-2,3-ジヒドロ-1H-イソインドール-4-イル)-3-(5′-オキソ-5′-アデノシルアミノ)プロピオンアミド
  • 3-{[(2S,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]ホルムアミド}-N-(1-オキソ-2,3-ジヒドロ-1H-イソインドール-4-イル)プロパンアミド
  • 3-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]formamido}-N-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)propanamide
Other name (1)：
  • N-(1-Oxo-2,3-dihydro-1H-isoindole-4-yl)-3-(5′-oxo-5′-adenosylamino)propionamide
Thsaurus map：
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