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HIT217584695
 sdf 文件
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HIT217584695
  • HIT ID:HIT217584695
  • Cas No:
  • 常用名:Mca-(endo-1a-Dap(Dnp))-TNF-Alpha (-5 to +6) amide (human)
    常用名:Mca-(endo-1a-Dap(Dnp))-TNF-Alpha (-5 to +6) amide (human)
  • IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butyl]carbamoyl}-2-[(2,4-dinitrophenyl)amino]ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]-2-[(2S)-2-[(2S)-2-{[(2S)-1-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]propanamido]pentanediamide
    IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butyl]carbamoyl}-2-[(2,4-dinitrophenyl)amino]ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]-2-[(2S)-2-[(2S)-2-{[(2S)-1-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]propanamido]pentanediamide
  • InChI key:QWPFCDHLHMOCKZ-ZZLDSPSDSA-N
  • 分子式:C69H103N23O24
  • 分子量:1638.72
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:COc1ccc2c(CC(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CNc3ccc(cc3N(=O)=O)N(=O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc(=O)oc2c1
    SMILES:COc1ccc2c(CC(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CNc3ccc(cc3N(=O)=O)N(=O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc(=O)oc2c1
  • Mca-(endo-1a-Dap(Dnp))-TNF-Alpha (-5 to +6) amide (human) 为一种基于FRET (荧光共振能量转移) 原理的多肽底物,通过其裂解引起的荧光强度变化来评估其活性。
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  • 供应商
    TargetMolSC
    规格
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    1

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