Chem
J-GLOBAL ID：200907032184897597   Nikkaji number：J2.232.684H

N-(Isocyanoacetyl)-Phe-Gly-Phe-OMe

N-(イソシアノアセチル)-Phe-Gly-Phe-OMe
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： C23[C-]H26N3[N+]O5
Molecular formula furigana： C24-H26-N4-O5
Molecular weight： 450.495
InChI： InChI=1S/C24H26N4O5/c1-25-15-21(29)27-19(13-17-9-5-3-6-10-17)23(31)26-16-22(30)28-20(24(32)33-2)14-18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,2H3,(H,26,31)(H,27,29)(H,28,30)/t19-,20-/m0/s1
InChI key： YTKVDTCHQAYNQX-PMACEKPBSA-N
SMILES： COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C[N+]#[C-]
Systematic name  (3)：
  • N-(イソシアノアセチル)-Phe-Gly-Phe-OMe
  • メチル (2S)-2-{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]アセトアミド}-3-フェニルプロパノアート
  • methyl (2S)-2-{2-[(2S)-2-(2-isocyanoacetamido)-3-phenylpropanamido]acetamido}-3-phenylpropanoate
Other name (1)：
  • N-(Isocyanoacetyl)-Phe-Gly-Phe-OMe
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