Chem
J-GLOBAL ID：200907056309900010   Nikkaji number：J2.423.373A

(1S,3aα,6aα)-1-Isopropyl-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

(1S,3aα,6aα)-1-イソプロピル-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
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： C27H29N5O5
Molecular formula furigana： C27-H29-N5-O5
Molecular weight： 503.559
InChI： InChI=1S/C27H29N5O5/c1-15(2)27(26(36)37-5)20-18(24(34)32(25(20)35)16-11-7-6-8-12-16)21(29-27)19-22(30(3)4)28-17-13-9-10-14-31(17)23(19)33/h6-15,18,20-21,29H,1-5H3/t18-,20-,21+,27-/m0/s1
InChI key： NSHGVHSPLOVIID-AURNUCDLSA-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)C(C)C
Systematic name  (3)：
  • (1S,3aα,6aα)-1-イソプロピル-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)-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-1-(プロパン-2-イル)-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)-3-[2-(dimethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-4,6-dioxo-5-phenyl-1-(propan-2-yl)-octahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Other name (1)：
  • (1S,3aα,6aα)-1-Isopropyl-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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