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HIT217584861
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HIT217584861
  • HIT ID:HIT217584861
  • Cas No:
  • 常用名:Biotinyl-neuropeptide W-23 (human)
    常用名:Biotinyl-neuropeptide W-23 (human)
  • IUPAC:(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-6-aminohexanamido]-3-(1H-imidazol-5-yl)propanamido]-3-methylbutanamido]propanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-3-hydroxybutanamido]-3-methylbutanamido]acetamido}-5-carbamimidamidopentanamido]propanamido]propanamido]acetamido}-4-methylpentanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]acetamido}-4-methylpentanoic acid
    IUPAC:(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-6-aminohexanamido]-3-(1H-imidazol-5-yl)propanamido]-3-methylbutanamido]propanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-3-hydroxybutanamido]-3-methylbutanamido]acetamido}-5-carbamimidamidopentanamido]propanamido]propanamido]acetamido}-4-methylpentanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]acetamido}-4-methylpentanoic acid
  • InChI key:VYDGRNZGZRUBOO-UXSYHBBOSA-N
  • 分子式:C129H197N37O30S2
  • 分子量:2810.34
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(O)=O)[C@@]1([H])NC(=O)N2
    SMILES:[H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(O)=O)[C@@]1([H])NC(=O)N2
  • Biotinyl-neuropeptide W-23 (human)为生物素化neuropeptide W-23 (human)的衍生物,该化合物作为NPBW1 (GPR7)和NPBW2 (GPR8)的激动剂。
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  • 供应商
    TargetMolSC
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    1

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