Chem
J-GLOBAL ID：201307061304126070   Nikkaji number：J3.171.485K

IKM-159

(2R)-IKM-159
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： C12H14N2O6
Molecular formula furigana： C12-H14-N2-O6
Molecular weight： 282.252
InChI： InChI=1S/C12H14N2O6/c15-6(16)4-12-7(10(17)14-9(12)11(18)19)8-5(20-12)2-1-3-13-8/h1-2,5,7-9,13H,3-4H2,(H,14,17)(H,15,16)(H,18,19)/t5-,7+,8+,9-,12+/m0/s1
InChI key： RVLCVCHOUKAPIG-WCPLEAOBSA-N
SMILES： OC(=O)C[C@@]12O[C@H]3C=CCN[C@H]3[C@@H]1C(=O)N[C@H]2C(=O)O
Systematic name  (4)：
  • (4aS)-6α-カルボキシ-8-オキソ-2,4aβ,5a,6,7,8,8aα,8bβ-オクタヒドロ-1H-ピロロ[3′,4′:4,5]フロ[3,2-b]ピリジン-5aα-酢酸
  • 5aα-(カルボキシメチル)-8-オキソ-2,4aβ,5a,6,7,8,8aα,8bβ-オクタヒドロ-1H-ピロロ[3′,4′:4,5]フロ[3,2-b]ピリジン-6α-カルボン酸
  • (1S,2S,5R,6R,8S)-6-(カルボキシメチル)-3-オキソ-7-オキサ-4,12-ジアザトリシクロ[6.4.0.02,6]ドデカ-9-エン-5-カルボン酸
  • (1S,2S,5R,6R,8S)-6-(carboxymethyl)-3-oxo-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodec-9-ene-5-carboxylic acid
Other name (4)：
  • (4aS)-6α-Carboxy-8-oxo-2,4aβ,5a,6,7,8,8aα,8bβ-octahydro-1H-pyrrolo[3′,4′:4,5]furo[3,2-b]pyridine-5aα-acetic acid
  • 5aα-(Carboxymethyl)-8-oxo-2,4aβ,5a,6,7,8,8aα,8bβ-octahydro-1H-pyrrolo[3′,4′:4,5]furo[3,2-b]pyridine-6α-carboxylic acid
  • IKM-159
  • (2R)-IKM-159
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