Chem
J-GLOBAL ID：200907034342011065   Nikkaji number：J611.602G

N,N′-(1,4-Dioxo-1,4-butanediyl)bis(L-phenylalanine benzyl) ester

N,N′-(1,4-ジオキソ-1,4-ブタンジイル)ビス(L-フェニルアラニンベンジル)
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： C36H36N2O6
Molecular formula furigana： C36-H36-N2-O6
Molecular weight： 592.692
InChI： InChI=1S/C36H36N2O6/c39-33(37-31(23-27-13-5-1-6-14-27)35(41)43-25-29-17-9-3-10-18-29)21-22-34(40)38-32(24-28-15-7-2-8-16-28)36(42)44-26-30-19-11-4-12-20-30/h1-20,31-32H,21-26H2,(H,37,39)(H,38,40)/t31-,32-/m0/s1
InChI key： CGOOXSYAIMLCSA-ACHIHNKUSA-N
SMILES： O=C(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
Systematic name  (3)：
  • N,N′-(1,4-ジオキソ-1,4-ブタンジイル)ビス(L-フェニルアラニンベンジル)
  • ベンジル (2S)-2-(3-{[(2S)-1-(ベンジルオキシ)-1-オキソ-3-フェニルプロパン-2-イル]カルバモイル}プロパンアミド)-3-フェニルプロパノアート
  • benzyl (2S)-2-(3-{[(2S)-1-(benzyloxy)-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanamido)-3-phenylpropanoate
Other name (1)：
  • N,N′-(1,4-Dioxo-1,4-butanediyl)bis(L-phenylalanine benzyl) ester
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