Chem
J-GLOBAL ID：200907029276998240   Nikkaji number：J2.423.371E

(1R,3aα,6aα)-1,5-Diphenyl-3β-[2-(dibenzylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1β-carboxylic acid methyl ester

(1R,3aα,6aα)-1,5-ジフェニル-3β-[2-(ジベンジルアミノ)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]-4,6-ジオキソオクタヒドロピロロ[3,4-c]ピロール-1β-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： C42H35N5O5
Molecular formula furigana： C42-H35-N5-O5
Molecular weight： 689.772
InChI： InChI=1S/C42H35N5O5/c1-52-41(51)42(30-20-10-4-11-21-30)35-33(39(49)47(40(35)50)31-22-12-5-13-23-31)36(44-42)34-37(43-32-24-14-15-25-46(32)38(34)48)45(26-28-16-6-2-7-17-28)27-29-18-8-3-9-19-29/h2-25,33,35-36,44H,26-27H2,1H3/t33-,35-,36+,42-/m0/s1
InChI key： JOPABRDPZUDNES-OYNQPUMWSA-N
SMILES： COC(=O)[C@]1(N[C@H]([C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1)c1c(nc2ccccn2c1=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
Systematic name  (3)：
  • (1R,3aα,6aα)-1,5-ジフェニル-3β-[2-(ジベンジルアミノ)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]-4,6-ジオキソオクタヒドロピロロ[3,4-c]ピロール-1β-カルボン酸メチル
  • メチル (1R,3R,3aS,6aR)-3-[2-(ジベンジルアミノ)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]-4,6-ジオキソ-1,5-ジフェニル-オクタヒドロピロロ[3,4-c]ピロール-1-カルボキシラート
  • methyl (1R,3R,3aS,6aR)-3-[2-(dibenzylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-4,6-dioxo-1,5-diphenyl-octahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Other name (1)：
  • (1R,3aα,6aα)-1,5-Diphenyl-3β-[2-(dibenzylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1β-carboxylic acid methyl ester
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