Chem
J-GLOBAL ID：200907077332444169   Nikkaji number：J2.057.787H

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

(3aα,6aα)-3β-[2-(ジメチルアミノ)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]-1-ベンジル-5-フェニル-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： C31H29N5O5
Molecular formula furigana： C31-H29-N5-O5
Molecular weight： 551.603
InChI： InChI=1S/C31H29N5O5/c1-34(2)26-23(27(37)35-17-11-10-16-21(35)32-26)25-22-24(29(39)36(28(22)38)20-14-8-5-9-15-20)31(33-25,30(40)41-3)18-19-12-6-4-7-13-19/h4-17,22,24-25,33H,18H2,1-3H3/t22-,24-,25+,31-/m0/s1
InChI key： DGMXXNQDFYMAKX-SJOSQULISA-N
SMILES： COC(=O)[C@@]1(Cc2ccccc2)N[C@H]([C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1)c1c(nc2ccccn2c1=O)N(C)C
Systematic name  (4)：
  • (3aα,6aα)-3β-[2-(ジメチルアミノ)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]-1-ベンジル-5-フェニル-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
  • (1S,3aα,6aα)-1-ベンジル-5-フェニル-3β-[2-(ジメチルアミノ)-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 (1S,3R,3aS,6aR)-1-ベンジル-3-[2-(ジメチルアミノ)-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-5-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 (1S,3R,3aS,6aR)-1-benzyl-3-[2-(dimethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-4,6-dioxo-5-phenyl-octahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Other name (2)：
  • (3aα,6aα)-3β-[2-(Dimethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]-1-benzyl-5-phenyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1β-carboxylic acid methyl ester
  • (1S,3aα,6aα)-1-Benzyl-5-phenyl-3β-[2-(dimethylamino)-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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