Chem
J-GLOBAL ID:200907009790331912   Nikkaji number:J1.932.521K

(1R,9aβ)-N-Methyl-1β-(2-hydroxyethyl)-5-oxo-6β-(acetylamino)octahydro-1H-pyrrolo[1,2-a]azepine-3β-carboxamide

(1R,9aβ)-N-メチル-1β-(2-ヒドロキシエチル)-5-オキソ-6β-(アセチルアミノ)オクタヒドロ-1H-ピロロ[1,2-a]アゼピン-3β-カルボアミド
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: C15H25N3O4
Molecular formula furigana: C15-H25-N3-O4
Molecular weight: 311.382
InChI: InChI=1S/C15H25N3O4/c1-9(20)17-11-4-3-5-12-10(6-7-19)8-13(14(21)16-2)18(12)15(11)22/h10-13,19H,3-8H2,1-2H3,(H,16,21)(H,17,20)/t10-,11-,12+,13-/m0/s1
InChI key: YTKCONJLQXNIDG-RVMXOQNASA-N
SMILES: CNC(=O)[C@@H]1C[C@H](CCO)[C@H]2CCC[C@H](NC(=O)C)C(=O)N12
Systematic name  (3):
  • (1R,9aβ)-N-メチル-1β-(2-ヒドロキシエチル)-5-オキソ-6β-(アセチルアミノ)オクタヒドロ-1H-ピロロ[1,2-a]アゼピン-3β-カルボアミド
  • (1R,3S,6S,9aR)-6-アセトアミド-1-(2-ヒドロキシエチル)-N-メチル-5-オキソ-オクタヒドロ-1H-ピロロ[1,2-a]アゼピン-3-カルボキサミド
  • (1R,3S,6S,9aR)-6-acetamido-1-(2-hydroxyethyl)-N-methyl-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
Other name (1):
  • (1R,9aβ)-N-Methyl-1β-(2-hydroxyethyl)-5-oxo-6β-(acetylamino)octahydro-1H-pyrrolo[1,2-a]azepine-3β-carboxamide
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