Chem
J-GLOBAL ID：200907076172157056   Nikkaji number：J1.767.708J

N-[1-(1-Carboxy-1-methylethyl)-1H-1,2,3-triazole-4-ylcarbonyl]-1-Boc-Trp-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]-1-Boc-Trp-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： C34H39N7O9
Molecular formula furigana： C34-H39-N7-O9
Molecular weight： 689.726
InChI： InChI=1S/C34H39N7O9/c1-33(2,3)50-32(49)40-18-21(22-13-9-10-14-26(22)40)16-24(37-30(46)25-19-41(39-38-25)34(4,5)31(47)48)29(45)36-23(28(44)35-17-27(42)43)15-20-11-7-6-8-12-20/h6-14,18-19,23-24H,15-17H2,1-5H3,(H,35,44)(H,36,45)(H,37,46)(H,42,43)(H,47,48)/t23-,24-/m0/s1
InChI key： NKMPVOHSGOKJQI-ZEQRLZLVSA-N
SMILES： CC(C)(C)OC(=O)n1cc(C[C@H](NC(=O)c2cn(nn2)C(C)(C)C(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)O)c2ccccc12
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]-1-Boc-Trp-Phe-Gly-OH
  • 2-(4-{[(1S)-2-{1-[(tert-ブトキシ)カルボニル]-1H-インドール-3-イル}-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}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)-2-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}ethyl]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]-1-Boc-Trp-Phe-Gly-OH
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