Anthopleurin C | 68856-71-3

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: Anthopleurin C
• 英文别名: 2-[(1R,2aR,5aS,6R,8aS,9S,11aS,12R,15S,18S,20aS,21S,23aS,26aS,30S,32aS,33S,36S,37aR,39S,45S,48S,51S,54S,60S,63S,66S,69S,72S,78R,84S,87S,93S,96S,99S)-6-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-5a,9-bis(4-aminobutyl)-37a-[[(2S)-6-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-99-(2-amino-2-oxoethyl)-26a,60-bis[(2S)-butan-2-yl]-39-(3-carbamimidamidopropyl)-15,21-bis(carboxymethyl)-23a,48-bis[(1R)-1-hydroxyethyl]-18,33,54,87-tetrakis(hydroxymethyl)-11a,96-bis(1H-imidazol-5-ylmethyl)-32a,66,93-tris(1H-indol-3-ylmethyl)-8a,72-dimethyl-51,63,69-tris(2-methylpropyl)-a,3a,6a,7,9a,10,12a,13,15a,16,19,21a,22,24a,25,27a,30a,31,33a,34,35a,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,85,88,91,94,97-hentetracontaoxo-36-propan-2-yl-3,4,39a,40a,43a,44a-hexathia-1a,4a,7a,8,10a,11,13a,14,16a,17,20,22a,23,25a,26,28a,31a,32,34a,35,36a,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95,98-hentetracontazahexacyclo[76.56.7.412,102.026,30.080,84.0116,120]pentatetracontahectan-45-yl]acetic acid
• CAS: 68856-71-3
• 化学式: C₂₁₀H₃₁₇N₆₃O₆₁S₆
• 分子量: 4893.0
• InChiKey: PCXSPONYIMSERR-RPSHIQOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -18.4
• 重原子数：
  340
• 可旋转键数：
  160
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  2090
• 氢给体数：
  66
• 氢受体数：
  74