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HIT219618845
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HIT219618845
  • HIT ID:HIT219618845
  • Cas No:2802416-72-2
  • 常用名:Tezusomant
  • IUPAC:4-{[(1S,4S,10R,19S,22S,25S,28S,53S,56S)-22-(4-aminobutyl)-10-{[(5S)-5-carbamoyl-5-[(4S)-4-carboxy-4-[(4S)-4-carboxy-4-(15-carboxypentadecanamido)butanamido]butanamido]pentyl]carbamoyl}-56-(carbamoylmethyl)-25-[(4-carboxyphenyl)methyl]-19-[(5-hydroxy-1H-indol-3-yl)methyl]-53-(hydroxymethyl)-2,16,16-trimethyl-3,6,12,15,18,21,24,27,39,45,48,51,54,57-tetradecaoxo-13,47,50-tris(propan-2-yl)-8-thia-2,5,11,14,17,20,23,26,37,40,46,49,52,55,58-pentadecaazatetracyclo[26.16.14.1^{30,37}.0^{31,36}]nonapentaconta-30(59),31,33,35-tetraen-4-yl]methyl}benzoic acid
    IUPAC:4-{[(1S,4S,10R,19S,22S,25S,28S,53S,56S)-22-(4-aminobutyl)-10-{[(5S)-5-carbamoyl-5-[(4S)-4-carboxy-4-[(4S)-4-carboxy-4-(15-carboxypentadecanamido)butanamido]butanamido]pentyl]carbamoyl}-56-(carbamoylmethyl)-25-[(4-carboxyphenyl)methyl]-19-[(5-hydroxy-1H-indol-3-yl)methyl]-53-(hydroxymethyl)-2,16,16-trimethyl-3,6,12,15,18,21,24,27,39,45,48,51,54,57-tetradecaoxo-13,47,50-tris(propan-2-yl)-8-thia-2,5,11,14,17,20,23,26,37,40,46,49,52,55,58-pentadecaazatetracyclo[26.16.14.1^{30,37}.0^{31,36}]nonapentaconta-30(59),31,33,35-tetraen-4-yl]methyl}benzoic acid
  • InChI key:InChIKey=UUNQJTVHPFMQJB-QIQDHWKRSA-N
  • 分子式:C120H171N23O32S
  • 分子量:2479.88
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@]12Cc3cn(CC(=O)NCCCC[C@]([H])(N(C)C(=O)[C@H](Cc4ccc(cc4)C(O)=O)NC(=O)CSC[C@H](NC(=O)C(NC(=O)C(C)(C)NC(=O)[C@H](Cc4c[nH]c5ccc(O)cc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(cc4)C(O)=O)NC1=O)C(C)C)C(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCC(O)=O)C(O)=O)C(O)=O)C(N)=O)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N2)c1ccccc31
    SMILES:[H][C@]12Cc3cn(CC(=O)NCCCC[C@]([H])(N(C)C(=O)[C@H](Cc4ccc(cc4)C(O)=O)NC(=O)CSC[C@H](NC(=O)C(NC(=O)C(C)(C)NC(=O)[C@H](Cc4c[nH]c5ccc(O)cc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(cc4)C(O)=O)NC1=O)C(C)C)C(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCC(O)=O)C(O)=O)C(O)=O)C(N)=O)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N2)c1ccccc31
  • Tezusomant 是一种生长激素受体 (growth hormone receptor) 拮抗剂,预计将用于研究由于生长激素过量分泌而引起的疾病,如肢端肥大症。
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