Cobalt(4), bis(N1-(3-(dimethylsulfonio)propyl)bleomycinamidato-N25,N32,N36,N38,N46)(mu-(peroxy-O:O'))di- | 79873-73-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: Cobalt(4), bis(N1-(3-(dimethylsulfonio)propyl)bleomycinamidato-N25,N32,N36,N38,N46)(mu-(peroxy-O:O'))di-
• 英文别名: 3-[[2-[2-[2-[[(3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-[[[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-5-[[(3R)-1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxycarbonylamino]peroxycarbamoyloxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium;cobalt(2+)
• CAS: 79873-73-7
• 化学式: C110H166Co2N34O44S6+6
• 分子量: 2979.0
• InChiKey: KKIIZQBKGAVVGT-NZNXXPGHSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  -15.36
• 重原子数：
  196
• 可旋转键数：
  75
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  1360
• 氢给体数：
  40
• 氢受体数：
  64