Chem
J-GLOBAL ID：202007010414270569   Nikkaji number：J3.748.067C

ent-(2R)-TKM-107

ent-(2R)-TKM-107
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+/m1/s1
InChI key： KJUXDUPBFHBKAN-QCAOHCQOSA-N
SMILES： [C@@H]12[C@H]3C(=O)N[C@@H]([C@]3(O[C@@H]1C=CCCN2)CC(=O)O)C(=O)O
Systematic name  (3)：
  • (1R,2R,5S,6S,8R)-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
  • (1R,2R,5S,6S,8R)-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
  • (1R,2R,5S,6S,8R)-6-(carboxymethyl)-3-oxo-7-oxa-4,13-diazatricyclo[6.5.0.02,6]tridec-9-ene-5-carboxylic acid
Other name (1)：
  • ent-(2R)-TKM-107
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