Chem
J-GLOBAL ID：200907047133376964   Nikkaji number：J1.985.988F

(3aα,6aα)-3β-[2-(Dimethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]-1,5-diphenyl-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]-1,5-ジフェニル-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： C30H27N5O5
Molecular formula furigana： C30-H27-N5-O5
Molecular weight： 537.576
InChI： InChI=1S/C30H27N5O5/c1-33(2)25-22(26(36)34-17-11-10-16-20(34)31-25)24-21-23(28(38)35(27(21)37)19-14-8-5-9-15-19)30(32-24,29(39)40-3)18-12-6-4-7-13-18/h4-17,21,23-24,32H,1-3H3/t21-,23-,24+,30-/m0/s1
InChI key： XYLHJOZVAIJTGQ-GAOIQBMKSA-N
SMILES： COC(=O)[C@]1(N[C@H]([C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1)c1c(nc2ccccn2c1=O)N(C)C)c1ccccc1
Systematic name  (4)：
  • (1R,3aα,6aα)-1,5-ジフェニル-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
  • (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]-1,5-ジフェニル-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
  • メチル (1R,3R,3aS,6aR)-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-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-(dimethylamino)-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 (2)：
  • (1R,3aα,6aα)-1,5-Diphenyl-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
  • (3aα,6aα)-3β-[2-(Dimethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]-1,5-diphenyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1β-carboxylic acid methyl ester
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