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HIT219200879
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HIT219200879
  • HIT ID:HIT219200879
  • Cas No:869011-94-9
  • 常用名:DN59
  • IUPAC:(3S)-3-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-({[({[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S,2S)-1-[({[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-methylpropyl]carbamoyl}propyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-{2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanamido]-3-methylpentanamido]-4-methylpentanamido]acetamido}propanoic acid
    IUPAC:(3S)-3-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-({[({[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S,2S)-1-[({[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-methylpropyl]carbamoyl}propyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-{2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanamido]-3-methylpentanamido]-4-methylpentanamido]acetamido}propanoic acid
  • InChI key:ABHBBSMNRHBVOG-YDOLFCGDSA-N
  • 分子式:C161H240N38O44S
  • 分子量:3443.97
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
  • DN59 是一个包含 33 个氨基酸的肽,模拟登革热病毒 2 型 E 蛋白的茎区。DN59 能够抑制所有四种血清型的登革热病毒(IC50: 2-5 μM),同时也有效对抗其他黄病毒。其作用机制是通过直接与病毒颗粒相互作用,诱导基因组 RNA 的释放。DN59 展示了抗病毒活性。
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