Dalazatide | 1081110-69-1

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: Dalazatide
• 英文别名: 2-[(1R,2aS,4S,7S,10S,13S,19S,22S,25S,28S,31R,36R,39S,48S,51S,54S,57R,60S,63S,66S,69S,72S,75S,78S,81S,84S,87S,90R,93S,96S,99S)-31-[[(2S)-2-[[(2R)-2-[acetyl-[(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoyl]amino]-2-[2-(2-aminoethoxy)ethoxy]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-10,51,75,87-tetrakis(4-aminobutyl)-93-(3-amino-3-oxopropyl)-60,96-dibenzyl-19,28-bis[(2S)-butan-2-yl]-4,54,69-tris(3-carbamimidamidopropyl)-36-carbamoyl-2a,22,39,48-tetrakis[(1R)-1-hydroxyethyl]-7,63,81-tris(hydroxymethyl)-72-[(4-hydroxyphenyl)methyl]-84-(1H-imidazol-4-ylmethyl)-99-methyl-66-(2-methylpropyl)-78-(2-methylsulfanylethyl)-1a,3,4a,6,9,12,18,21,24,27,30,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-dotriacontaoxo-6a,7a,10a,11a,33,34-hexathia-a,2,3a,5,8,11,17,20,23,26,29,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-dotriacontazatetracyclo[55.47.4.445,90.013,17]dodecahectan-25-yl]acetic acid
• CAS: 1081110-69-1
• 化学式: C₁₈₄H₂₉₆N₅₇O₅₅PS₇
• 分子量: 4442.0
• InChiKey: GORAHSAIYZMTHZ-LBFSFEBVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -16.9
• 重原子数：
  304
• 可旋转键数：
  83
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  2020
• 氢给体数：
  66
• 氢受体数：
  73