Chem
J-GLOBAL ID：201607006640266884   Nikkaji number：J3.463.309F

(S)-2-(4-(3-(2-Amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidine-6-yl)propyl)-2-thienylcarbonylamino)glutaric acid

(S)-2-(4-(3-(2-アミノ-4-オキソ-3,4-ジヒドロ-7H-ピロロ[2,3-d]ピリミジン-6-イル)プロピル)-2-チエニルカルボニルアミノ)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： C19H21N5O6S
Molecular formula furigana： C19-H21-N5-O6-S
Molecular weight： 447.470
InChI： InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)7-10(21-15)3-1-2-9-6-13(31-8-9)17(28)22-12(18(29)30)4-5-14(25)26/h6-8,12H,1-5H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1
InChI key： UNSSSMUKJOLMJV-LBPRGKRZSA-N
SMILES： Nc1nc2[nH]c(CCCc3csc(c3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2c(=O)[nH]1
Systematic name  (3)：
  • (S)-2-(4-(3-(2-アミノ-4-オキソ-3,4-ジヒドロ-7H-ピロロ[2,3-d]ピリミジン-6-イル)プロピル)-2-チエニルカルボニルアミノ)グルタル酸
  • (2S)-2-{[4-(3-{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}プロピル)チオフェン-2-イル]ホルムアミド}ペンタン二酸
  • (2S)-2-{[4-(3-{2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-6-yl}propyl)thiophen-2-yl]formamido}pentanedioic acid
Other name (1)：
  • (S)-2-(4-(3-(2-Amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidine-6-yl)propyl)-2-thienylcarbonylamino)glutaric acid
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