Chem
J-GLOBAL ID：200907010502389446   Nikkaji number：J2.232.686D

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

N-(イソシアノアセチル)-Phe-Phe-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： C30[C-]H32N3[N+]O5
Molecular formula furigana： C31-H32-N4-O5
Molecular weight： 540.620
InChI： InChI=1S/C31H32N4O5/c1-32-21-28(36)33-25(18-22-12-6-3-7-13-22)29(37)34-26(19-23-14-8-4-9-15-23)30(38)35-27(31(39)40-2)20-24-16-10-5-11-17-24/h3-17,25-27H,18-21H2,2H3,(H,33,36)(H,34,37)(H,35,38)/t25-,26-,27-/m0/s1
InChI key： FDWNADXWTODKCP-QKDODKLFSA-N
SMILES： COC(=O)[C@H](Cc1ccccc1)NC(=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-Phe-OMe
  • メチル (2S)-2-[(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-フェニルプロパンアミド]-3-フェニルプロパノアート
  • methyl (2S)-2-[(2S)-2-[(2S)-2-(2-isocyanoacetamido)-3-phenylpropanamido]-3-phenylpropanamido]-3-phenylpropanoate
Other name (1)：
  • N-(Isocyanoacetyl)-Phe-Phe-Phe-OMe
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