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HIT217585066
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HIT217585066
  • HIT ID:HIT217585066
  • Cas No:1802078-32-5
  • 常用名:Mca-SEVNLDAEFK(Dnp)-NH2
  • IUPAC:(4S)-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-5-[(2,4-dinitrophenyl)amino]pentyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-carboxypropyl]carbamoyl}ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(2S)-3-hydroxy-2-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamido]propanamido]butanoic acid
    IUPAC:(4S)-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-5-[(2,4-dinitrophenyl)amino]pentyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-carboxypropyl]carbamoyl}ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(2S)-3-hydroxy-2-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamido]propanamido]butanoic acid
  • InChI key:OWUYBLXUXZOXPL-PKEZMKBBSA-N
  • 分子式:C68H89N15O26
  • 分子量:1532.539
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:COc1ccc2c(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCNc3ccc(cc3N(=O)=O)N(=O)=O)C(N)=O)cc(=O)oc2c1
    SMILES:COc1ccc2c(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCNc3ccc(cc3N(=O)=O)N(=O)=O)C(N)=O)cc(=O)oc2c1
  • Mca-SEVNLDAEFK(Dnp)-NH2具备一个7-甲氧基香豆素(Mca)荧光基团,由于其与2,4-二硝基苯基(Dnp)间的共振能量转移作用,荧光得到有效猝灭。该化合物主要应用于检测切割Mca与Dnp之间酰胺键的肽酶活性,如BACE-1,其活性导致荧光增强。
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