Chem
J-GLOBAL ID：200907030689164010   Nikkaji number：J1.767.706C

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

N-[1-(1-カルボキシ-1-メチルエチル)-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： C29H33N7O8
Molecular formula furigana： C29-H33-N7-O8
Molecular weight： 607.624
InChI： InChI=1S/C29H33N7O8/c1-29(2,28(43)44)36-17-22(34-35-36)27(42)33-21(14-19-11-7-4-8-12-19)26(41)30-15-23(37)32-20(25(40)31-16-24(38)39)13-18-9-5-3-6-10-18/h3-12,17,20-21H,13-16H2,1-2H3,(H,30,41)(H,31,40)(H,32,37)(H,33,42)(H,38,39)(H,43,44)/t20-,21-/m0/s1
InChI key： OLVDMWLVYJNTML-SFTDATJTSA-N
SMILES： CC(C)(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-メチルエチル)-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-メチルプロパン酸
  • 2-(4-{[(1S)-1-[({[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-1H-1,2,3-triazol-1-yl)-2-methylpropanoic acid
Other name (1)：
  • N-[1-(1-Carboxy-1-methylethyl)-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
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