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HIT214983312
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HIT214983312
  • HIT ID:HIT214983312
  • Cas No:3016307-75-5
  • 常用名:(1R)-1-(3-{[(27-chloro-3,6,9,12,15,18,21-heptaoxaheptacosan-1-yl)carbamoyl]methoxy}phenyl)-3-(3,4-dimethoxyphenyl)propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
    常用名:(1R)-1-(3-{[(27-chloro-3,6,9,12,15,18,21-heptaoxaheptacosan-1-yl)carbamoyl]methoxy}phenyl)-3-(3,4-dimethoxyphenyl)propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
  • IUPAC:(1R)-1-(3-{[(27-chloro-3,6,9,12,15,18,21-heptaoxaheptacosan-1-yl)carbamoyl]methoxy}phenyl)-3-(3,4-dimethoxyphenyl)propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
    IUPAC:(1R)-1-(3-{[(27-chloro-3,6,9,12,15,18,21-heptaoxaheptacosan-1-yl)carbamoyl]methoxy}phenyl)-3-(3,4-dimethoxyphenyl)propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
  • InChI key:RPIBISHYKGHEDG-YGENRYQBSA-N
  • 分子式:C58H87ClN2O17
  • 分子量:1119.78
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCCCCCCl)c1)c1cc(OC)c(OC)c(OC)c1
    SMILES:CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCCCCCCl)c1)c1cc(OC)c(OC)c(OC)c1
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