Chem
J-GLOBAL ID:200907075932820234   Nikkaji number:J806.477F

(5Z)-2-(3-Methyl-4-methoxybenzyl)-3-oxo-4-benzyl-5-[(6-benzyloxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-6-hydroxy-1-piperazinecarboxylic acid isopropyl ester

(5Z)-2-(3-メチル-4-メトキシベンジル)-3-オキソ-4-ベンジル-5-[(6-ベンジルオキシ-7-メチル-1,3-ベンゾジオキソール-5-イル)メチレン]-6-ヒドロキシ-1-ピペラジンカルボン酸イソプロピル
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: C40H42N2O8
Molecular formula furigana: C40-H42-N2-O8
Molecular weight: 678.782
InChI: InChI=1S/C40H42N2O8/c1-25(2)50-40(45)42-33(19-30-16-17-34(46-5)26(3)18-30)38(43)41(22-28-12-8-6-9-13-28)32(39(42)44)20-31-21-35-37(49-24-48-35)27(4)36(31)47-23-29-14-10-7-11-15-29/h6-18,20-21,25,33,39,44H,19,22-24H2,1-5H3/b32-20-
InChI key: LQZBMSJAZKXOPA-RGXNXFOYSA-N
SMILES: COc1ccc(CC2N(C(O)/C(=C/c3cc4OCOc4c(C)c3OCc3ccccc3)/N(Cc3ccccc3)C2=O)C(=O)OC(C)C)cc1C
Systematic name  (3):
  • (5Z)-2-(3-メチル-4-メトキシベンジル)-3-オキソ-4-ベンジル-5-[(6-ベンジルオキシ-7-メチル-1,3-ベンゾジオキソール-5-イル)メチレン]-6-ヒドロキシ-1-ピペラジンカルボン酸イソプロピル
  • プロパン-2-イル (3Z)-4-ベンジル-3-{[6-(ベンジルオキシ)-7-メチル-2H-1,3-ベンゾジオキソール-5-イル]メチリデン}-2-ヒドロキシ-6-[(4-メトキシ-3-メチルフェニル)メチル]-5-オキソピペラジン-1-カルボキシラート
  • propan-2-yl (3Z)-4-benzyl-3-{[6-(benzyloxy)-7-methyl-2H-1,3-benzodioxol-5-yl]methylidene}-2-hydroxy-6-[(4-methoxy-3-methylphenyl)methyl]-5-oxopiperazine-1-carboxylate
Other name (1):
  • (5Z)-2-(3-Methyl-4-methoxybenzyl)-3-oxo-4-benzyl-5-[(6-benzyloxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-6-hydroxy-1-piperazinecarboxylic acid isopropyl ester
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