Chem
J-GLOBAL ID:200907002955314703   Nikkaji number:J1.412.659G

(3S,6S,9aS)-5-Oxo-6-[[(2S)-5-oxo-2-pyrrolidinyl]carbonylamino]-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide

(3S,6S,9aS)-5-オキソ-6-[[(2S)-5-オキソ-2-ピロリジニル]カルボニルアミノ]-オクタヒドロ-1H-ピロロ[1,2-a]アゼピン-3-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: C15H22N4O4
Molecular formula furigana: C15-H22-N4-O4
Molecular weight: 322.365
InChI: InChI=1S/C15H22N4O4/c16-13(21)11-6-4-8-2-1-3-10(15(23)19(8)11)18-14(22)9-5-7-12(20)17-9/h8-11H,1-7H2,(H2,16,21)(H,17,20)(H,18,22)/t8-,9-,10-,11-/m0/s1
InChI key: YNCCRUDJNVAFER-NAKRPEOUSA-N
SMILES: NC(=O)[C@@H]1CC[C@@H]2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C(=O)N12
Systematic name  (3):
  • (3S,6S,9aS)-5-オキソ-6-[[(2S)-5-オキソ-2-ピロリジニル]カルボニルアミノ]-オクタヒドロ-1H-ピロロ[1,2-a]アゼピン-3-カルボアミド
  • (2S)-N-[(3S,6S,9aS)-3-カルバモイル-5-オキソ-オクタヒドロ-1H-ピロロ[1,2-a]アゼピン-6-イル]-5-オキソピロリジン-2-カルボキサミド
  • (2S)-N-[(3S,6S,9aS)-3-carbamoyl-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepin-6-yl]-5-oxopyrrolidine-2-carboxamide
Other name (1):
  • (3S,6S,9aS)-5-Oxo-6-[[(2S)-5-oxo-2-pyrrolidinyl]carbonylamino]-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
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