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
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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:
C22 H32 N6 O5 S
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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