Chem
J-GLOBAL ID：200907036361668027   Nikkaji number：J1.767.691A

N-[1-(1-Carboxy-1-propylbutyl)-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH

N-[1-(1-カルボキシ-1-プロピルブチル)-1H-1,2,3-トリアゾール-4-イルカルボニル]-Phe-Gly-Phe-Gly-OH
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： C33H41N7O8
Molecular formula furigana： C33-H41-N7-O8
Molecular weight： 663.732
InChI： InChI=1S/C33H41N7O8/c1-3-15-33(16-4-2,32(47)48)40-21-26(38-39-40)31(46)37-25(18-23-13-9-6-10-14-23)30(45)34-19-27(41)36-24(29(44)35-20-28(42)43)17-22-11-7-5-8-12-22/h5-14,21,24-25H,3-4,15-20H2,1-2H3,(H,34,45)(H,35,44)(H,36,41)(H,37,46)(H,42,43)(H,47,48)/t24-,25-/m0/s1
InChI key： GXQOOZDFQADDAN-DQEYMECFSA-N
SMILES： CCCC(CCC)(C(=O)O)n1cc(nn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
Systematic name  (3)：
  • N-[1-(1-カルボキシ-1-プロピルブチル)-1H-1,2,3-トリアゾール-4-イルカルボニル]-Phe-Gly-Phe-Gly-OH
  • 2-(4-{[(1S)-1-[({[(1S)-1-[(カルボキシメチル)カルバモイル]-2-フェニルエチル]カルバモイル}メチル)カルバモイル]-2-フェニルエチル]カルバモイル}-1H-1,2,3-トリアゾール-1-イル)-2-プロピルペンタン酸
  • 2-(4-{[(1S)-1-[({[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-1H-1,2,3-triazol-1-yl)-2-propylpentanoic acid
Other name (1)：
  • N-[1-(1-Carboxy-1-propylbutyl)-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
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