Chem
J-GLOBAL ID：200907083010435849
Nikkaji number：J806.476H
(5Z)-2-(3-Methyl-4-methoxybenzyl)-3-oxo-4-benzyl-5-[(6-benzyloxy-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-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 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
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
Molecular formula： C39H40N2O8
Molecular formula furigana： C39-H40-N2-O8
Molecular weight： 664.755
InChI：
InChI=1S/C39H40N2O8/c1-25(2)49-39(44)41-32(18-29-15-16-33(45-4)26(3)17-29)37(42)40(22-27-11-7-5-8-12-27)31(38(41)43)19-30-20-35-36(48-24-47-35)21-34(30)46-23-28-13-9-6-10-14-28/h5-17,19-21,25,32,38,43H,18,22-24H2,1-4H3/b31-19-
InChI key：
SKJCVAGLSIBHKI-DXJNIWACSA-N
SMILES：
COc1ccc(CC2N(C(O)/C(=C/c3cc4OCOc4cc3OCc3ccccc3)/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-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)-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)-2H-1,3-benzodioxol-5-yl]methylidene}-2-hydroxy-6-[(4-methoxy-3-methylphenyl)methyl]-5-oxopiperazine-1-carboxylate
- (5Z)-2-(3-Methyl-4-methoxybenzyl)-3-oxo-4-benzyl-5-[(6-benzyloxy-1,3-benzodioxol-5-yl)methylene]-6-hydroxy-1-piperazinecarboxylic acid isopropyl ester
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