Chem
J-GLOBAL ID：200907005558357209   Nikkaji number：J1.767.707A

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

3-[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]-Ala-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： C31H38N8O8
Molecular formula furigana： C31-H38-N8-O8
Molecular weight： 650.693
InChI： InChI=1S/C31H38N8O8/c1-31(2,30(46)47)39-18-21(37-38-39)15-22(32)27(43)36-24(14-20-11-7-4-8-12-20)29(45)33-16-25(40)35-23(28(44)34-17-26(41)42)13-19-9-5-3-6-10-19/h3-12,18,22-24H,13-17,32H2,1-2H3,(H,33,45)(H,34,44)(H,35,40)(H,36,43)(H,41,42)(H,46,47)/t22-,23-,24-/m0/s1
InChI key： ZIBYNXCPJZNSEV-HJOGWXRNSA-N
SMILES： CC(C)(C(=O)O)n1cc(C[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)O)nn1
Systematic name  (3)：
  • 3-[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]-Ala-Phe-Gly-Phe-Gly-OH
  • 2-{4-[(2S)-2-アミノ-2-{[(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}エチル]-1H-1,2,3-トリアゾール-1-イル}-2-メチルプロパン酸
  • 2-{4-[(2S)-2-amino-2-{[(1S)-1-[({[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}ethyl]-1H-1,2,3-triazol-1-yl}-2-methylpropanoic acid
Other name (1)：
  • 3-[1-(1-Carboxy-1-methylethyl)-1H-1,2,3-triazole-4-yl]-Ala-Phe-Gly-Phe-Gly-OH
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