Chem
J-GLOBAL ID：200907085143965525   Nikkaji number：J2.057.786J

(3aα,6aα)-3β-[2-(Dimethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]-1-[2-(methylthio)ethyl]-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-[2-(メチルチオ)エチル]-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： C27H29N5O5S
Molecular formula furigana： C27-H29-N5-O5-S
Molecular weight： 535.620
InChI： InChI=1S/C27H29N5O5S/c1-30(2)22-19(23(33)31-14-9-8-12-17(31)28-22)21-18-20(27(29-21,13-15-38-4)26(36)37-3)25(35)32(24(18)34)16-10-6-5-7-11-16/h5-12,14,18,20-21,29H,13,15H2,1-4H3/t18-,20-,21+,27-/m0/s1
InChI key： OURDIRNLLYQRPL-AURNUCDLSA-N
SMILES： COC(=O)[C@@]1(CCSC)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-[2-(メチルチオ)エチル]-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-[2-(メチルチオ)エチル]-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]-1-[2-(メチルスルファニル)エチル]-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)-3-[2-(dimethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-1-[2-(methylsulfanyl)ethyl]-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-[2-(methylthio)ethyl]-5-phenyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1β-carboxylic acid methyl ester
  • (1S,3aα,6aα)-1-[2-(Methylthio)ethyl]-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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