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HIT218851929
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HIT218851929
  • HIT ID:HIT218851929
  • Cas No:1647119-71-8
  • 常用名:c(Bua-Cpa-Thi-Val-Asn-Cys)-Pro-Agm
    常用名:c(Bua-Cpa-Thi-Val-Asn-Cys)-Pro-Agm
  • IUPAC:(2R)-5-carbamimidamido-2-{[(2S)-1-[(3R,6S,9S,12S,15S)-6-(carbamoylmethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-(propan-2-yl)-12-[(thiophen-2-yl)methyl]-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl]pyrrolidin-2-yl]formamido}-N,N-diethylpentanamide
    IUPAC:(2R)-5-carbamimidamido-2-{[(2S)-1-[(3R,6S,9S,12S,15S)-6-(carbamoylmethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-(propan-2-yl)-12-[(thiophen-2-yl)methyl]-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl]pyrrolidin-2-yl]formamido}-N,N-diethylpentanamide
  • InChI key:KELMVSJFGCWRLO-MLMVTELGSA-N
  • 分子式:C47H69ClN12O9S2
  • 分子量:1045.71
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CCN(CC)C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
    SMILES:CCN(CC)C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
  • c(Bua-Cpa-Thi-Val-Asn-Cys)-Pro-Agm is a highly efficient, selective, and short-acting peptide V2 receptor agonist (V2R), with EC50s of hV2R and rV2R being 0.25 and 0.05 nM, respectively.
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