Chem
J-GLOBAL ID：200907088455310975   Nikkaji number：J1.767.689J

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

N-[1-(1-カルボキシ-1-メチルプロピル)-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： C30H35N7O8
Molecular formula furigana： C30-H35-N7-O8
Molecular weight： 621.651
InChI： InChI=1S/C30H35N7O8/c1-3-30(2,29(44)45)37-18-23(35-36-37)28(43)34-22(15-20-12-8-5-9-13-20)27(42)31-16-24(38)33-21(26(41)32-17-25(39)40)14-19-10-6-4-7-11-19/h4-13,18,21-22H,3,14-17H2,1-2H3,(H,31,42)(H,32,41)(H,33,38)(H,34,43)(H,39,40)(H,44,45)/t21-,22-,30?/m0/s1
InChI key： NHJSMTNFQLYZFX-BROTVIKASA-N
SMILES： CCC(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-メチルブタン酸
  • 2-(4-{[(1S)-1-[({[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-1H-1,2,3-triazol-1-yl)-2-methylbutanoic acid
Other name (1)：
  • N-[1-(1-Carboxy-1-methylpropyl)-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
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