Chem
J-GLOBAL ID：200907085960491420   Nikkaji number：J1.767.710A

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

3-[1-(4-アミノフェニル)-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： C33H37N9O6
Molecular formula furigana： C33-H37-N9-O6
Molecular weight： 655.716
InChI： InChI=1S/C33H37N9O6/c34-23-11-13-25(14-12-23)42-20-24(40-41-42)17-26(35)31(46)39-28(16-22-9-5-2-6-10-22)33(48)36-18-29(43)38-27(32(47)37-19-30(44)45)15-21-7-3-1-4-8-21/h1-14,20,26-28H,15-19,34-35H2,(H,36,48)(H,37,47)(H,38,43)(H,39,46)(H,44,45)/t26-,27-,28-/m0/s1
InChI key： SOGQOMMSJCRONW-KCHLEUMXSA-N
SMILES： N[C@@H](Cc1cn(nn1)c1ccc(N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
Systematic name  (3)：
  • 3-[1-(4-アミノフェニル)-1H-1,2,3-トリアゾール-4-イル]-Ala-Phe-Gly-Phe-Gly-OH
  • 2-[(2S)-2-{2-[(2S)-2-[(2S)-2-アミノ-3-[1-(4-アミノフェニル)-1H-1,2,3-トリアゾール-4-イル]プロパンアミド]-3-フェニルプロパンアミド]アセトアミド}-3-フェニルプロパンアミド]酢酸
  • 2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-[1-(4-aminophenyl)-1H-1,2,3-triazol-4-yl]propanamido]-3-phenylpropanamido]acetamido}-3-phenylpropanamido]acetic acid
Other name (1)：
  • 3-[1-(4-Aminophenyl)-1H-1,2,3-triazole-4-yl]-Ala-Phe-Gly-Phe-Gly-OH
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