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HIT219600346
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HIT219600346
  • HIT ID:HIT219600346
  • Cas No:103549-47-9
  • 常用名:Kibdelin C1
  • IUPAC:5,32,63,65-tetrachloro-64-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(10-methylundecanamido)oxan-2-yl]oxy}-2,18,26,31,44,49-hexahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid
    IUPAC:5,32,63,65-tetrachloro-64-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(10-methylundecanamido)oxan-2-yl]oxy}-2,18,26,31,44,49-hexahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid
  • InChI key:ZFVRJVVAOBPVHG-UHFFFAOYSA-N
  • 分子式:C83H88Cl4N8O29
  • 分子量:1803.44
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CNC1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)C3NC(=O)C(NC1=O)C(O)c1ccc(Oc4cc5cc(Oc6c(Cl)cc(cc6Cl)C(O)C6NC(=O)C(NC(=O)C5NC3=O)c3ccc(O)c(c3)-c3c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc3C(NC6=O)C(O)=O)c4OC3OC(CO)C(O)C(O)C3NC(=O)CCCCCCCCC(C)C)c(Cl)c1)c2
    SMILES:CNC1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)C3NC(=O)C(NC1=O)C(O)c1ccc(Oc4cc5cc(Oc6c(Cl)cc(cc6Cl)C(O)C6NC(=O)C(NC(=O)C5NC3=O)c3ccc(O)c(c3)-c3c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc3C(NC6=O)C(O)=O)c4OC3OC(CO)C(O)C(O)C3NC(=O)CCCCCCCCC(C)C)c(Cl)c1)c2
  • Kibdelin C1 对革兰氏阳性菌表现出抗性,其对金黄色葡萄球菌(包括耐甲氧西林菌株)的效果类似于Vancomycin。
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