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HIT212710248
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HIT212710248
  • HIT ID:HIT212710248
  • Cas No:54651-06-8
  • 常用名:Tetrahydroechinocandin B
  • 别名:L-687901, L-687,901, L687,901, L 687901, L 687,901
    别名:L-687901, L-687,901, L687,901, L 687901, L 687,901
  • IUPAC:N-{6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl}octadecanamide
    IUPAC:N-{6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl}octadecanamide
  • InChI key:CSFSSKWGOYOSPM-UHFFFAOYSA-N
  • 分子式:C52H85N7O16
  • 分子量:1064.285
  • 氢键供体数 (HBD):14
  • 氢键受体数 (HBA):16
  • LogP:-0.8475729
  • SMILES:CCCCCCCCCCCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(NC(=O)C(NC(=O)C2CC(O)CN2C(=O)C(NC1=O)C(C)O)C(O)C(O)c1ccc(O)cc1)C(C)O
    SMILES:CCCCCCCCCCCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(NC(=O)C(NC(=O)C2CC(O)CN2C(=O)C(NC1=O)C(C)O)C(O)C(O)c1ccc(O)cc1)C(C)O
  • Tetrahydroechinocandin B is a cyclic hexapeptide containing a fatty acyl side chain. It also inhibits 1,3-beta-D-glucan synthesis.
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