Chem
J-GLOBAL ID：200907045501300970   Nikkaji number：J1.767.701B

N-[1-[(S)-2-Amino-4-(methylthio)butyl]-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH

N-[1-[(S)-2-アミノ-4-(メチルチオ)ブチル]-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： C30H38N8O6S
Molecular formula furigana： C30-H38-N8-O6-S
Molecular weight： 638.740
InChI： InChI=1S/C30H38N8O6S/c1-45-13-12-22(31)18-38-19-25(36-37-38)30(44)35-24(15-21-10-6-3-7-11-21)29(43)32-16-26(39)34-23(28(42)33-17-27(40)41)14-20-8-4-2-5-9-20/h2-11,19,22-24H,12-18,31H2,1H3,(H,32,43)(H,33,42)(H,34,39)(H,35,44)(H,40,41)/t22-,23-,24-/m0/s1
InChI key： CRLJAQKIRLMUBF-HJOGWXRNSA-N
SMILES： CSCC[C@H](N)Cn1cc(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-[(S)-2-アミノ-4-(メチルチオ)ブチル]-1H-1,2,3-トリアゾール-4-イルカルボニル]-Phe-Gly-Phe-Gly-OH
  • 2-[(2S)-2-{2-[(2S)-2-({1-[(2S)-2-アミノ-4-(メチルスルファニル)ブチル]-1H-1,2,3-トリアゾール-4-イル}ホルムアミド)-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-({1-[(2S)-2-amino-4-(methylsulfanyl)butyl]-1H-1,2,3-triazol-4-yl}formamido)-3-phenylpropanamido]acetamido}-3-phenylpropanamido]acetic acid
Other name (1)：
  • N-[1-[(S)-2-Amino-4-(methylthio)butyl]-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
Thsaurus map：
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