Chem
J-GLOBAL ID：200907096282671996   Nikkaji number：J847.176B

(3S,4aα,7aα)-2-Tosyl-6α-(acetylbenzylamino)octahydro-1H-2-pyrindine-3α-carboxylic acid methyl ester

(3S,4aα,7aα)-2-トシル-6α-(アセチルベンジルアミノ)オクタヒドロ-1H-2-ピリンジン-3α-カルボン酸メチル
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： C26H32N2O5S
Molecular formula furigana： C26-H32-N2-O5-S
Molecular weight： 484.610
InChI： InChI=1S/C26H32N2O5S/c1-18-9-11-24(12-10-18)34(31,32)28-17-22-14-23(13-21(22)15-25(28)26(30)33-3)27(19(2)29)16-20-7-5-4-6-8-20/h4-12,21-23,25H,13-17H2,1-3H3/t21-,22+,23+,25+/m1/s1
InChI key： YSIJIIRHVGQUEP-FVEXOFTDSA-N
SMILES： COC(=O)[C@@H]1C[C@H]2C[C@@H](C[C@H]2CN1S(=O)(=O)c1ccc(C)cc1)N(Cc1ccccc1)C(=O)C
Systematic name  (3)：
  • (3S,4aα,7aα)-2-トシル-6α-(アセチルベンジルアミノ)オクタヒドロ-1H-2-ピリンジン-3α-カルボン酸メチル
  • メチル (3S,4aR,6S,7aR)-6-(N-ベンジルアセトアミド)-2-(4-メチルベンゼンスルホニル)-オクタヒドロ-1H-シクロペンタ[c]ピリジン-3-カルボキシラート
  • methyl (3S,4aR,6S,7aR)-6-(N-benzylacetamido)-2-(4-methylbenzenesulfonyl)-octahydro-1H-cyclopenta[c]pyridine-3-carboxylate
Other name (1)：
  • (3S,4aα,7aα)-2-Tosyl-6α-(acetylbenzylamino)octahydro-1H-2-pyrindine-3α-carboxylic acid methyl ester
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