Chem
J-GLOBAL ID：200907069835720772   Nikkaji number：J413.585G

Acromelic acid C

アクロメリン酸C
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： C12H14N2O5
Molecular formula furigana： C12-H14-N2-O5
Molecular weight： 266.253
InChI： InChI=1S/C12H14N2O5/c15-9-2-1-6(4-13-9)8-5-14-11(12(18)19)7(8)3-10(16)17/h1-2,4,7-8,11,14H,3,5H2,(H,13,15)(H,16,17)(H,18,19)/t7-,8+,11-/m0/s1
InChI key： IZOVOLIVYUHJAA-RNSXUZJQSA-N
SMILES： OC(=O)C[C@@H]1[C@H](NC[C@@H]1c1ccc(=O)[nH]c1)C(=O)O
Systematic name  (3)：
  • (2S)-2α-カルボキシ-4β-[(2-オキソ-1,2-ジヒドロピリジン)-5-イル]ピロリジン-3β-酢酸
  • (2S,3S,4S)-3-(カルボキシメチル)-4-(6-オキソ-1,6-ジヒドロピリジン-3-イル)ピロリジン-2-カルボン酸
  • (2S,3S,4S)-3-(carboxymethyl)-4-(6-oxo-1,6-dihydropyridin-3-yl)pyrrolidine-2-carboxylic acid
Other name (3)：
  • アクロメリン酸C
  • Acromelic acid C
  • (2S)-2α-Carboxy-4β-[(2-oxo-1,2-dihydropyridin)-5-yl]pyrrolidine-3β-acetic acid
CAS registry number： 133740-47-3
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