Chem
J-GLOBAL ID：200907079246189027   Nikkaji number：J1.767.698I

N-[1-[(S)-2-Amino-5-guanidinopentyl]-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH

N-[1-[(S)-2-アミノ-5-グアニジノペンチル]-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： C31H41N11O6
Molecular formula furigana： C31-H41-N11-O6
Molecular weight： 663.740
InChI： InChI=1S/C31H41N11O6/c32-22(12-7-13-35-31(33)34)18-42-19-25(40-41-42)30(48)39-24(15-21-10-5-2-6-11-21)29(47)36-16-26(43)38-23(28(46)37-17-27(44)45)14-20-8-3-1-4-9-20/h1-6,8-11,19,22-24H,7,12-18,32H2,(H,36,47)(H,37,46)(H,38,43)(H,39,48)(H,44,45)(H4,33,34,35)/t22-,23-,24-/m0/s1
InChI key： UYARQWXDJPBUMO-HJOGWXRNSA-N
SMILES： N[C@@H](CCCNC(=N)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-5-グアニジノペンチル]-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)-2-{2-[(2S)-2-({1-[(2S)-2-アミノ-5-カルバムイミドアミドペンチル]-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-5-carbamimidamidopentyl]-1H-1,2,3-triazol-4-yl}formamido)-3-phenylpropanamido]acetamido}-3-phenylpropanamido]acetic acid
Other name (1)：
  • N-[1-[(S)-2-Amino-5-guanidinopentyl]-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
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