Chem
J-GLOBAL ID：200907081236869989   Nikkaji number：J1.636.712E

(6S,8aα)-N-[1-(N-Hydroxyamidino)-4-piperidinylmethyl]-2-(benzylsulfonyl)-4-oxooctahydropyrrolo[1,2-a]pyrazine-6α-carboxamide

(6S,8aα)-N-[1-(N-ヒドロキシアミジノ)-4-ピペリジニルメチル]-2-(ベンジルスルホニル)-4-オキソオクタヒドロピロロ[1,2-a]ピラジン-6α-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： C22H32N6O5S
Molecular formula furigana： C22-H32-N6-O5-S
Molecular weight： 492.600
InChI： InChI=1S/C22H32N6O5S/c23-22(25-31)26-10-8-16(9-11-26)12-24-21(30)19-7-6-18-13-27(14-20(29)28(18)19)34(32,33)15-17-4-2-1-3-5-17/h1-5,16,18-19,31H,6-15H2,(H2,23,25)(H,24,30)/t18-,19-/m0/s1
InChI key： DHTSUHWLPAEEQB-OALUTQOASA-N
SMILES： ONC(=N)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)Cc2ccccc2)CC1
Systematic name  (3)：
  • (6S,8aα)-N-[1-(N-ヒドロキシアミジノ)-4-ピペリジニルメチル]-2-(ベンジルスルホニル)-4-オキソオクタヒドロピロロ[1,2-a]ピラジン-6α-カルボアミド
  • (6S,8aS)-N-{[1-(N-ヒドロキシカルバムイミドイル)ピペリジン-4-イル]メチル}-4-オキソ-2-フェニルメタンスルホニル-オクタヒドロピロロ[1,2-a]ピラジン-6-カルボキサミド
  • (6S,8aS)-N-{[1-(N-hydroxycarbamimidoyl)piperidin-4-yl]methyl}-4-oxo-2-phenylmethanesulfonyl-octahydropyrrolo[1,2-a]pyrazine-6-carboxamide
Other name (1)：
  • (6S,8aα)-N-[1-(N-Hydroxyamidino)-4-piperidinylmethyl]-2-(benzylsulfonyl)-4-oxooctahydropyrrolo[1,2-a]pyrazine-6α-carboxamide
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