Chem
J-GLOBAL ID：200907044101288681   Nikkaji number：J2.232.683J

N-(Isocyanoacetyl)-Phe-Phe-OEt

N-(イソシアノアセチル)-Phe-Phe-OEt
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： C22[C-]H25N2[N+]O4
Molecular formula furigana： C23-H25-N3-O4
Molecular weight： 407.470
InChI： InChI=1S/C23H25N3O4/c1-3-30-23(29)20(15-18-12-8-5-9-13-18)26-22(28)19(25-21(27)16-24-2)14-17-10-6-4-7-11-17/h4-13,19-20H,3,14-16H2,1H3,(H,25,27)(H,26,28)/t19-,20-/m0/s1
InChI key： JQDZNQPKIUCJBH-PMACEKPBSA-N
SMILES： CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C[N+]#[C-]
Systematic name  (3)：
  • N-(イソシアノアセチル)-Phe-Phe-OEt
  • エチル (2S)-2-[(2S)-2-(2-イソシアノアセトアミド)-3-フェニルプロパンアミド]-3-フェニルプロパノアート
  • ethyl (2S)-2-[(2S)-2-(2-isocyanoacetamido)-3-phenylpropanamido]-3-phenylpropanoate
Other name (1)：
  • N-(Isocyanoacetyl)-Phe-Phe-OEt
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