Chem
J-GLOBAL ID：201807008149839560   Nikkaji number：J3.704.865H

(1S)-1β-Carboxy-3-oxo-1,2,3aβ,3bα,7aα,8a-hexahydro-3H,5H-4,8-dioxa-2-azacyclopenta[a]indene-8aβ-acetic acid

(1R,2R,5S,6S,8R)-6-(カルボキシメチル)-3-オキソ-7,12-ジオキサ-4-アザトリシクロ[6.4.0.02,6]ドデカ-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： C12H13NO7
Molecular formula furigana： C12-H13-N-O7
Molecular weight： 283.236
InChI： InChI=1S/C12H13NO7/c14-6(15)4-12-7(10(16)13-9(12)11(17)18)8-5(20-12)2-1-3-19-8/h1-2,5,7-9H,3-4H2,(H,13,16)(H,14,15)(H,17,18)/t5-,7+,8+,9-,12+/m1/s1
InChI key： PEKMKOFVSTXQNY-MIPIJQIUSA-N
SMILES： OC(=O)C[C@]12O[C@@H]3C=CCO[C@@H]3[C@H]1C(=O)N[C@@H]2C(=O)O
Systematic name  (3)：
  • (1S)-1β-カルボキシ-3-オキソ-1,2,3aβ,3bα,7aα,8a-ヘキサヒドロ-3H,5H-4,8-ジオキサ-2-アザシクロペンタ[a]インデン-8aβ-酢酸
  • (1R,2R,5S,6S,8R)-6-(カルボキシメチル)-3-オキソ-7,12-ジオキサ-4-アザトリシクロ[6.4.0.02,6]ドデカ-9-エン-5-カルボン酸
  • (1R,2R,5S,6S,8R)-6-(carboxymethyl)-3-oxo-7,12-dioxa-4-azatricyclo[6.4.0.02,6]dodec-9-ene-5-carboxylic acid
Other name (1)：
  • (1S)-1β-Carboxy-3-oxo-1,2,3aβ,3bα,7aα,8a-hexahydro-3H,5H-4,8-dioxa-2-azacyclopenta[a]indene-8aβ-acetic acid
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