Chem
J-GLOBAL ID：200907019499580099   Nikkaji number：J1.767.711J

3-[1-[(S)-2-Benzyl-2-(Fmoc-amino)ethyl]-1H-1,2,3-triazole-4-yl]-Ala-Phe-Gly-Phe-Gly-OH

3-[1-[(S)-2-ベンジル-2-(Fmoc-アミノ)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： C51H53N9O8
Molecular formula furigana： C51-H53-N9-O8
Molecular weight： 920.040
InChI： InChI=1S/C51H53N9O8/c52-43(48(64)57-45(26-35-18-8-3-9-19-35)50(66)53-28-46(61)56-44(49(65)54-29-47(62)63)25-34-16-6-2-7-17-34)27-37-31-60(59-58-37)30-36(24-33-14-4-1-5-15-33)55-51(67)68-32-42-40-22-12-10-20-38(40)39-21-11-13-23-41(39)42/h1-23,31,36,42-45H,24-30,32,52H2,(H,53,66)(H,54,65)(H,55,67)(H,56,61)(H,57,64)(H,62,63)/t36-,43-,44-,45-/m0/s1
InChI key： OHHBOVWZRVITSE-ADYYDESZSA-N
SMILES： N[C@@H](Cc1cn(C[C@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3c3ccccc23)nn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
Systematic name  (3)：
  • 3-[1-[(S)-2-ベンジル-2-(Fmoc-アミノ)エチル]-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-[(2S)-2-({[(9H-フルオレン-9-イル)メトキシ]カルボニル}アミノ)-3-フェニルプロピル]-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-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-phenylpropyl]-1H-1,2,3-triazol-4-yl}propanamido]-3-phenylpropanamido]acetamido}-3-phenylpropanamido]acetic acid
Other name (1)：
  • 3-[1-[(S)-2-Benzyl-2-(Fmoc-amino)ethyl]-1H-1,2,3-triazole-4-yl]-Ala-Phe-Gly-Phe-Gly-OH
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