Chem
J-GLOBAL ID：200907081869706094   Nikkaji number：J1.855.662F

(S)-2-[4-[2-(2,4-Diaminopyrido[3,4-d]pyrimidine-6-yl)ethyl]benzoylamino]glutaric acid

(S)-2-[4-[2-(2,4-ジアミノピリド[3,4-d]ピリミジン-6-イル)エチル]ベンゾイルアミノ]グルタル酸
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： C21H22N6O5
Molecular formula furigana： C21-H22-N6-O5
Molecular weight： 438.444
InChI： InChI=1S/C21H22N6O5/c22-18-14-9-13(24-10-16(14)26-21(23)27-18)6-3-11-1-4-12(5-2-11)19(30)25-15(20(31)32)7-8-17(28)29/h1-2,4-5,9-10,15H,3,6-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)/t15-/m0/s1
InChI key： AWBSHOVMCWQBMP-HNNXBMFYSA-N
SMILES： Nc1nc(N)c2cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ncc2n1
Systematic name  (3)：
  • (S)-2-[4-[2-(2,4-ジアミノピリド[3,4-d]ピリミジン-6-イル)エチル]ベンゾイルアミノ]グルタル酸
  • (2S)-2-{[4-(2-{2,4-ジアミノピリド[3,4-d]ピリミジン-6-イル}エチル)フェニル]ホルムアミド}ペンタン二酸
  • (2S)-2-{[4-(2-{2,4-diaminopyrido[3,4-d]pyrimidin-6-yl}ethyl)phenyl]formamido}pentanedioic acid
Other name (1)：
  • (S)-2-[4-[2-(2,4-Diaminopyrido[3,4-d]pyrimidine-6-yl)ethyl]benzoylamino]glutaric acid
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