Chem
J-GLOBAL ID：200907087285661747   Nikkaji number：J1.060.531H

3-[2,5-Dimethyl-3,6-dioxo-4-[2-(benzylcarbamoyl)ethyl]-1,4-cyclohexadienyl]-3-methylbutanoic acid 2-aminoethyl ester

3-[2,5-ジメチル-3,6-ジオキソ-4-[2-(ベンジルカルバモイル)エチル]-1,4-シクロヘキサジエニル]-3-メチルブタン酸2-アミノエチル
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： C25H32N2O5
Molecular formula furigana： C25-H32-N2-O5
Molecular weight： 440.540
InChI： InChI=1S/C25H32N2O5/c1-16-19(10-11-20(28)27-15-18-8-6-5-7-9-18)23(30)17(2)22(24(16)31)25(3,4)14-21(29)32-13-12-26/h5-9H,10-15,26H2,1-4H3,(H,27,28)
InChI key： MPOXQNLNLRAOOE-UHFFFAOYSA-N
SMILES： CC1=C(CCC(=O)NCc2ccccc2)C(=O)C(=C(C1=O)C(C)(C)CC(=O)OCCN)C
Systematic name  (3)：
  • 3-[2,5-ジメチル-3,6-ジオキソ-4-[2-(ベンジルカルバモイル)エチル]-1,4-シクロヘキサジエニル]-3-メチルブタン酸2-アミノエチル
  • 2-アミノエチル 3-{4-[2-(ベンジルカルバモイル)エチル]-2,5-ジメチル-3,6-ジオキソシクロヘキサ-1,4-ジエン-1-イル}-3-メチルブタノアート
  • 2-aminoethyl 3-{4-[2-(benzylcarbamoyl)ethyl]-2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl}-3-methylbutanoate
Other name (1)：
  • 3-[2,5-Dimethyl-3,6-dioxo-4-[2-(benzylcarbamoyl)ethyl]-1,4-cyclohexadienyl]-3-methylbutanoic acid 2-aminoethyl ester
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