Chem
J-GLOBAL ID：200907050539590836   Nikkaji number：J1.767.690C

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

N-[1-(1-カルボキシ-1-エチルプロピル)-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： C31H37N7O8
Molecular formula furigana： C31-H37-N7-O8
Molecular weight： 635.678
InChI： InChI=1S/C31H37N7O8/c1-3-31(4-2,30(45)46)38-19-24(36-37-38)29(44)35-23(16-21-13-9-6-10-14-21)28(43)32-17-25(39)34-22(27(42)33-18-26(40)41)15-20-11-7-5-8-12-20/h5-14,19,22-23H,3-4,15-18H2,1-2H3,(H,32,43)(H,33,42)(H,34,39)(H,35,44)(H,40,41)(H,45,46)/t22-,23-/m0/s1
InChI key： YEVYEFAOSWULDL-GOTSBHOMSA-N
SMILES： CCC(CC)(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-エチルプロピル)-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-エチルブタン酸
  • 2-(4-{[(1S)-1-[({[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-1H-1,2,3-triazol-1-yl)-2-ethylbutanoic acid
Other name (1)：
  • N-[1-(1-Carboxy-1-ethylpropyl)-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
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