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HIT219250636
 sdf 文件
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HIT219250636
  • HIT ID:HIT219250636
  • Cas No:
  • 常用名:TFE-IDAtp1-LinA
  • IUPAC:(2S)-2-[(2S)-2-[(2S)-2-(2-{[({2-[(2-{[2-({2-[(2S)-2-(2-{[({2-[(2-{[2-({2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-6-azidohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]ethyl}amino)ethyl]amino}ethyl)amino]ethyl}carbamoyl)methyl](2,2,2-trifluoroethyl)amino}acetamido)-6-{6-[(12E)-octadeca-9,12-dienamido]-2-[(9E,12E)-octadeca-9,12-dienamido]hexanamido}hexanamido]ethyl}amino)ethyl]amino}ethyl)amino]ethyl}carbamoyl)methyl](2,2,2-trifluoroethyl)amino}acetamido)-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
    IUPAC:(2S)-2-[(2S)-2-[(2S)-2-(2-{[({2-[(2-{[2-({2-[(2S)-2-(2-{[({2-[(2-{[2-({2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-6-azidohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]ethyl}amino)ethyl]amino}ethyl)amino]ethyl}carbamoyl)methyl](2,2,2-trifluoroethyl)amino}acetamido)-6-{6-[(12E)-octadeca-9,12-dienamido]-2-[(9E,12E)-octadeca-9,12-dienamido]hexanamido}hexanamido]ethyl}amino)ethyl]amino}ethyl)amino]ethyl}carbamoyl)methyl](2,2,2-trifluoroethyl)amino}acetamido)-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
  • InChI key:JPAQSKNBSDQGDP-GKKTWNLESA-N
  • 分子式:C136H204F6N26O22
  • 分子量:2669.278
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CCCCC\C=C\CC=CCCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCC\C=C\C\C=C\CCCCC)C(=O)NCCCC[C@H](NC(=O)CN(CC(=O)NCCNCCNCCNCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN=[N+]=[N-])CC(F)(F)F)C(=O)NCCNCCNCCNCCNC(=O)CN(CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)CC(F)(F)F
    SMILES:CCCCC\C=C\CC=CCCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCC\C=C\C\C=C\CCCCC)C(=O)NCCCC[C@H](NC(=O)CN(CC(=O)NCCNCCNCCNCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN=[N+]=[N-])CC(F)(F)F)C(=O)NCCNCCNCCNCCNC(=O)CN(CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)CC(F)(F)F
  • TFE-IDAtp1-LinA 是 Stp 含三氟乙基亚氨基二乙酸类似物的有效两亲载体。它与 Cas9 RNP/ssDNA 结合形成纳米颗粒,可有效实现增强型绿色荧光蛋白的敲除,ED50 为 0.38 nM 的 Cas9/sgRNA 核糖核蛋白 (RNP)。
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    TargetMolSC
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