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HIT219618913
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HIT219618913
  • HIT ID:HIT219618913
  • Cas No:256230-47-4
  • 常用名:Nocathiacin Ⅲ
  • 别名:Nocathiacine III
  • IUPAC:2-({2-[(1S,18S,21E,28S,29S,30S)-9,30,52-trihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2^{29,40}.1^{2,5}.1^{12,15}.1^{22,25}.1^{38,41}.1^{47,50}.0^{6,11}.0^{34,39}]heptapentaconta-2(57),4,6(11),7,9,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamide
    IUPAC:2-({2-[(1S,18S,21E,28S,29S,30S)-9,30,52-trihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2^{29,40}.1^{2,5}.1^{12,15}.1^{22,25}.1^{38,41}.1^{47,50}.0^{6,11}.0^{34,39}]heptapentaconta-2(57),4,6(11),7,9,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamide
  • InChI key:InChIKey=XYPCGIXYXJYRSJ-BCOJXLFZSA-N
  • 分子式:C52H43N13O16S5
  • 分子量:1266.29
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@]12COC(=O)c3c4CO[C@]([H])([C@H](O)C(=O)OCc5cccc(n3O)c45)[C@]([H])(NC(=O)c3csc(n3)\C(NC(=O)[C@@]([H])(NC(=O)c3csc(n3)-c3cc(O)c(nc3-c3csc1n3)-c1nc(cs1)C(=O)NC(=C)C(N)=O)[C@@H](C)O)=C(\C)OC)c1nc(cs1)C(=O)N2
    SMILES:[H][C@]12COC(=O)c3c4CO[C@]([H])([C@H](O)C(=O)OCc5cccc(n3O)c45)[C@]([H])(NC(=O)c3csc(n3)\C(NC(=O)[C@@]([H])(NC(=O)c3csc(n3)-c3cc(O)c(nc3-c3csc1n3)-c1nc(cs1)C(=O)NC(=C)C(N)=O)[C@@H](C)O)=C(\C)OC)c1nc(cs1)C(=O)N2
  • Nocathiacin III (Nocathiacine III) 对多种革兰氏阳性菌表现出显著的抗菌作用,其中包括耐甲氧西林金黄色葡萄球菌 (MRSA)、耐青霉素肺炎链球菌 (PRSP) 和耐多药粪肠球菌 (MREF)。
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