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HIT218851580
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HIT218851580
  • HIT ID:HIT218851580
  • Cas No:936616-33-0
  • 常用名:µ-Conotoxin-CnIIIC
  • IUPAC:2-[(1R,4S,7S,10S,13S,16R,19S,22S,25S,28S,31S,34R,39R,42S,51S,54S,64R,69R)-10,54-bis(4-aminobutyl)-19,31-bis(3-carbamimidamidopropyl)-64-carbamoyl-42-(carbamoylmethyl)-4,7-bis(hydroxymethyl)-25-[(1H-imidazol-5-yl)methyl]-13-[(1H-indol-3-yl)methyl]-28-methyl-2,5,8,11,14,17,20,23,26,29,32,40,43,46,52,55,58,66,68-nonadecaoxo-69-(2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}acetamido)-36,37,61,62,71,72-hexathia-3,6,9,12,15,18,21,24,27,30,33,41,44,47,53,56,59,65,67-nonadecaazatetracyclo[32.25.7.7^{16,39}.0^{47,51}]triheptacontan-22-yl]acetic acid
    IUPAC:2-[(1R,4S,7S,10S,13S,16R,19S,22S,25S,28S,31S,34R,39R,42S,51S,54S,64R,69R)-10,54-bis(4-aminobutyl)-19,31-bis(3-carbamimidamidopropyl)-64-carbamoyl-42-(carbamoylmethyl)-4,7-bis(hydroxymethyl)-25-[(1H-imidazol-5-yl)methyl]-13-[(1H-indol-3-yl)methyl]-28-methyl-2,5,8,11,14,17,20,23,26,29,32,40,43,46,52,55,58,66,68-nonadecaoxo-69-(2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}acetamido)-36,37,61,62,71,72-hexathia-3,6,9,12,15,18,21,24,27,30,33,41,44,47,53,56,59,65,67-nonadecaazatetracyclo[32.25.7.7^{16,39}.0^{47,51}]triheptacontan-22-yl]acetic acid
  • InChI key:PQKXBHZHSUVYIL-XAASTXGFSA-N
  • 分子式:C92H139N35O28S6
  • 分子量:2375.7
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]12CCCN1C(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CNC(=O)[C@@H]4CCC(=O)N4)C(=O)N1)NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC3=O)C(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC2=O
    SMILES:[H][C@@]12CCCN1C(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CNC(=O)[C@@H]4CCC(=O)N4)C(=O)N1)NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC3=O)C(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC2=O
  • μ-Conotoxin-CnIIIC为具有22个氨基酸残基的芋螺肽,源自(Conus consors)。它作为NaV1.4通道的阻断剂,展现出强效及长效性质。μ-Conotoxin-CnIIIC还表现出镇痛、麻醉和肌肉松弛的生物学功能。
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