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  3. HIT221058527
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HIT221058527
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HIT221058527
  • HIT ID:HIT221058527
  • Cas No:2410279-85-3
  • 常用名:sodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-dodecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethanesulfonate
    常用名:sodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-dodecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethanesulfonate
  • IUPAC:sodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate
    IUPAC:sodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate
  • InChI key:InChIKey=IYPNVUSIMGAJFC-SWZNJHJNSA-M
  • 分子式:C26H44NNaO6S
  • 分子量:525.71
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS([O-])(=O)=O
    SMILES:[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS([O-])(=O)=O
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