Chem
J-GLOBAL ID：201807014207739511   Nikkaji number：J3.723.160F

(2R)-TKM-107

(1S,2S,5R,6R,8S)-6-(カルボキシメチル)-3-オキソ-7-オキサ-4,13-ジアザトリシクロ[6.5.0.02,6]トリデカ-9-エン-5-カルボン酸
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： C13H16N2O6
Molecular formula furigana： C13-H16-N2-O6
Molecular weight： 296.279
InChI： InChI=1S/C13H16N2O6/c16-7(17)5-13-8(11(18)15-10(13)12(19)20)9-6(21-13)3-1-2-4-14-9/h1,3,6,8-10,14H,2,4-5H2,(H,15,18)(H,16,17)(H,19,20)/t6-,8+,9+,10-,13+/m0/s1
InChI key： KJUXDUPBFHBKAN-SGSVSDHDSA-N
SMILES： OC(=O)C[C@@]12O[C@H]3C=CCCN[C@H]3[C@@H]1C(=O)N[C@H]2C(=O)O
Systematic name  (3)：
  • (1R)-9aα-(カルボキシメチル)-2,3,3aα,3bβ,4,5,6,9a-オクタヒドロ-3-オキソ-8aβH-2,4-ジアザ-9-オキサ-1H-シクロペンタ[a]アズレン-1-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-4,13-ジアザトリシクロ[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-oxa-4,13-diazatricyclo[6.5.0.02,6]tridec-9-ene-5-carboxylic acid
Other name (2)：
  • (1R)-9aα-(Carboxymethyl)-2,3,3aα,3bβ,4,5,6,9a-octahydro-3-oxo-8aβH-2,4-diaza-9-oxa-1H-cyclopenta[a]azulene-1-carboxylic acid
  • (2R)-TKM-107
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