Chem
J-GLOBAL ID:200907026144200143   Nikkaji number:J1.636.716H

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

(6S,8aα)-N-(2-メチル-4-アミジノベンジル)-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: C24H29N5O4S
Molecular formula furigana: C24-H29-N5-O4-S
Molecular weight: 483.590
InChI: InChI=1S/C24H29N5O4S/c1-16-11-18(23(25)26)7-8-19(16)12-27-24(31)21-10-9-20-13-28(14-22(30)29(20)21)34(32,33)15-17-5-3-2-4-6-17/h2-8,11,20-21H,9-10,12-15H2,1H3,(H3,25,26)(H,27,31)/t20-,21-/m0/s1
InChI key: IRKSGKUGDOLVOI-SFTDATJTSA-N
SMILES: Cc1cc(ccc1CNC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)C(=N)N
Systematic name  (3):
  • (6S,8aα)-N-(2-メチル-4-アミジノベンジル)-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-[(4-カルバムイミドイル-2-メチルフェニル)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-[(4-carbamimidoyl-2-methylphenyl)methyl]-4-oxo-2-phenylmethanesulfonyl-octahydropyrrolo[1,2-a]pyrazine-6-carboxamide
Other name (1):
  • (6S,8aα)-N-(2-Methyl-4-amidinobenzyl)-2-(benzylsulfonyl)-4-oxooctahydropyrrolo[1,2-a]pyrazine-6α-carboxamide
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