Chem
J-GLOBAL ID:200907042841658277   Nikkaji number:J1.767.700D

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

N-[1-(2-アミノエチル)-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: C27H32N8O6
Molecular formula furigana: C27-H32-N8-O6
Molecular weight: 564.603
InChI: InChI=1S/C27H32N8O6/c28-11-12-35-17-22(33-34-35)27(41)32-21(14-19-9-5-2-6-10-19)26(40)29-15-23(36)31-20(25(39)30-16-24(37)38)13-18-7-3-1-4-8-18/h1-10,17,20-21H,11-16,28H2,(H,29,40)(H,30,39)(H,31,36)(H,32,41)(H,37,38)/t20-,21-/m0/s1
InChI key: HAAFPKGUMYHQFO-SFTDATJTSA-N
SMILES: NCCn1cc(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-(2-アミノエチル)-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-(2-アミノエチル)-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-(2-aminoethyl)-1H-1,2,3-triazol-4-yl]formamido}-3-phenylpropanamido]acetamido}-3-phenylpropanamido]acetic acid
Other name (1):
  • N-[1-(2-Aminoethyl)-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
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