Chem
J-GLOBAL ID：201407058451713068   Nikkaji number：J3.310.833H

IKM-154

1α-カルボキシ-3-オキソ-4,9-ジオキサ-2-アザ-2,3,3aα,3bβ,5,6,8aβ,9a-オクタヒドロ-1H-シクロペンタ[a]アズレン-9aα-酢酸
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： C13H15NO7
Molecular formula furigana： C13-H15-N-O7
Molecular weight： 297.263
InChI： InChI=1S/C13H15NO7/c15-7(16)5-13-8(11(17)14-10(13)12(18)19)9-6(21-13)3-1-2-4-20-9/h1,3,6,8-10H,2,4-5H2,(H,14,17)(H,15,16)(H,18,19)/t6-,8+,9+,10-,13+/m0/s1
InChI key： ZDPNUUVKSGYMTA-SGSVSDHDSA-N
SMILES： OC(=O)C[C@@]12O[C@H]3C=CCCO[C@H]3[C@@H]1C(=O)N[C@H]2C(=O)O
Systematic name  (5)：
  • 3-オキソ-9aα-(2-オキソ-2-ヒドロキシエチル)-2,3,3aα,3bβ,5,6,8aβ,9a-オクタヒドロ-2-アザ-4,9-ジオキサ-1H-シクロペンタ[a]アズレン-1α-カルボン酸
  • 1α-カルボキシ-3-オキソ-4,9-ジオキサ-2-アザ-2,3,3aα,3bβ,5,6,8aβ,9a-オクタヒドロ-1H-シクロペンタ[a]アズレン-9aα-酢酸
  • (1R)-9aα-(カルボキシメチル)-2,3,3aα,3bβ,5,6,8aβ,9a-オクタヒドロ-3-オキソ-4,9-ジオキサ-2-アザ-1H-シクロペンタ[a]アズレン-1α-カルボン酸
  • (1S,2S,5R,6R,8S)-6-(カルボキシメチル)-3-オキソ-7,13-ジオキサ-4-アザトリシクロ[6.5.0.02,6]トリデカ-9-エン-5-カルボン酸
  • (1S,2S,5R,6R,8S)-6-(carboxymethyl)-3-oxo-7,13-dioxa-4-azatricyclo[6.5.0.02,6]tridec-9-ene-5-carboxylic acid
Other name (5)：
  • 3-Oxo-9aα-(2-oxo-2-hydroxyethyl)-2,3,3aα,3bβ,5,6,8aβ,9a-octahydro-2-aza-4,9-dioxa-1H-cyclopenta[a]azulene-1α-carboxylic acid
  • 1α-Carboxy-3-oxo-4,9-dioxa-2-aza-2,3,3aα,3bβ,5,6,8aβ,9a-octahydro-1H-cyclopenta[a]azulene-9aα-acetic acid
  • (2R)-IKM-154
  • (1R)-9aα-(Carboxymethyl)-2,3,3aα,3bβ,5,6,8aβ,9a-octahydro-3-oxo-4,9-dioxa-2-aza-1H-cyclopenta[a]azulene-1α-carboxylic acid
  • IKM-154
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