44-Amino-4,22-dibenzyl-47-(3-carbamimidamidopropyl)-31-[carboxy(hydroxy)methyl]-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-heptadecahydroxy-37-(2-hydroxy-2-iminoethyl)-50-(3-hydroxy-3-iminopropyl)-41,70-dimethyl-16-(2-methylpropyl)-8-oxo-25-propan-2-yl-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecazapentacyclo[38.18.9.319,56.328,53.09,13]triheptaconta-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,66-heptadecaene-65-carboxylic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 44-Amino-4,22-dibenzyl-47-(3-carbamimidamidopropyl)-31-[carboxy(hydroxy)methyl]-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-heptadecahydroxy-37-(2-hydroxy-2-iminoethyl)-50-(3-hydroxy-3-iminopropyl)-41,70-dimethyl-16-(2-methylpropyl)-8-oxo-25-propan-2-yl-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecazapentacyclo[38.18.9.319,56.328,53.09,13]triheptaconta-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,66-heptadecaene-65-carboxylic acid
• 英文别名: 44-amino-4,22-dibenzyl-47-(3-carbamimidamidopropyl)-31-[carboxy(hydroxy)methyl]-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-heptadecahydroxy-37-(2-hydroxy-2-iminoethyl)-50-(3-hydroxy-3-iminopropyl)-41,70-dimethyl-16-(2-methylpropyl)-8-oxo-25-propan-2-yl-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecazapentacyclo[38.18.9.319,56.328,53.09,13]triheptaconta-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,66-heptadecaene-65-carboxylic acid
• 化学式: C₈₆H₁₂₇N₂₅O₂₅S₃
• 分子量: 2007.3
• InChiKey: ZHLSUKYWIDCDAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.6
• 重原子数：
  139
• 可旋转键数：
  20
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  872
• 氢给体数：
  27
• 氢受体数：
  31

反应信息

• 作为反应物：
  描述：

  44-Amino-4,22-dibenzyl-47-(3-carbamimidamidopropyl)-31-[carboxy(hydroxy)methyl]-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-heptadecahydroxy-37-(2-hydroxy-2-iminoethyl)-50-(3-hydroxy-3-iminopropyl)-41,70-dimethyl-16-(2-methylpropyl)-8-oxo-25-propan-2-yl-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecazapentacyclo[38.18.9.319,56.328,53.09,13]triheptaconta-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,66-heptadecaene-65-carboxylic acid 生成
  参考文献：
  名称：

  FREDENHAGEN, ANDREAS;FENDRICH, GABRIELE;MARKI, FRITZ;MARKI, WALTER;GRUNER+, J. ANTIBIOTICS, 43,(1990) N1, C. 1403-1412

  摘要：

  DOI：

文献信息

• FREDENHAGEN, ANDREAS;FENDRICH, GABRIELE;MARKI, FRITZ;MARKI, WALTER;GRUNER+, J. ANTIBIOTICS, 43,(1990) N1, C. 1403-1412
  作者：FREDENHAGEN, ANDREAS、FENDRICH, GABRIELE、MARKI, FRITZ、MARKI, WALTER、GRUNER+

  DOI：——

  日期：——