Chem
J-GLOBAL ID：200907071090045010   Nikkaji number：J1.767.703I

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

N-[1-(1-アダマンチル)-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： C35H41N7O6
Molecular formula furigana： C35-H41-N7-O6
Molecular weight： 655.756
InChI： InChI=1S/C35H41N7O6/c43-30(38-27(32(46)37-20-31(44)45)14-22-7-3-1-4-8-22)19-36-33(47)28(15-23-9-5-2-6-10-23)39-34(48)29-21-42(41-40-29)35-16-24-11-25(17-35)13-26(12-24)18-35/h1-10,21,24-28H,11-20H2,(H,36,47)(H,37,46)(H,38,43)(H,39,48)(H,44,45)/t24-,25?,26?,27-,28-,35-/m0/s1
InChI key： XIJBJWAPIXINKV-AFEHOMETSA-N
SMILES： OC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(nn1)[C@@]12CC3C[C@@H](CC(C3)C1)C2
Systematic name  (3)：
  • N-[1-(1-アダマンチル)-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)-3-フェニル-2-{2-[(2S)-3-フェニル-2-({1-[(3r)-アダマンタン-1-イル]-1H-1,2,3-トリアゾール-4-イル}ホルムアミド)プロパンアミド]アセトアミド}プロパンアミド]酢酸
  • 2-[(2S)-3-phenyl-2-{2-[(2S)-3-phenyl-2-({1-[(3r)-adamantan-1-yl]-1H-1,2,3-triazol-4-yl}formamido)propanamido]acetamido}propanamido]acetic acid
Other name (1)：
  • N-[1-(1-Adamantyl)-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
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