methyl (8R,11S,14R)-11-(2-amino-2-oxoethyl)-18,19-dichloro-4-hydroxy-5-iodo-14-[[(2R)-4-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]amino]-10,13-dioxo-2-oxa-9,12-diazatricyclo[14.2.2.13,7]henicosa-1(18),3,5,7(21),16,19-hexaene-8-carboxylate | 127526-59-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl (8R,11S,14R)-11-(2-amino-2-oxoethyl)-18,19-dichloro-4-hydroxy-5-iodo-14-[[(2R)-4-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]amino]-10,13-dioxo-2-oxa-9,12-diazatricyclo[14.2.2.13,7]henicosa-1(18),3,5,7(21),16,19-hexaene-8-carboxylate
• CAS: 127526-59-4
• 化学式: C₃₇H₄₀Cl₂IN₅O₁₀
• 分子量: 912.563
• InChiKey: YEVOUHJHTIHGOM-UUROJUAVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  55
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  216
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  methyl (8R,11S,14R)-11-(2-amino-2-oxoethyl)-18,19-dichloro-4-hydroxy-5-iodo-14-[[(2R)-4-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]amino]-10,13-dioxo-2-oxa-9,12-diazatricyclo[14.2.2.13,7]henicosa-1(18),3,5,7(21),16,19-hexaene-8-carboxylate 生成 (8R,11S,14R)-11-Carbamoylmethyl-4-hydroxy-14-((R)-4-methyl-2-methylamino-pentanoylamino)-10,13-dioxo-2-oxa-9,12-diaza-tricyclo[14.2.2.1^3,7]henicosa-1(19),3(21),4,6,16(20),17-hexaene-8-carboxylic acid methyl ester; hydrochloride
  参考文献：
  名称：

  Synthetic study on vancomycin: Synthesis of a macrocyclic tetrapeptide as a plausible active center in vancomycin

  摘要：

  DOI：

  10.1016/s0040-4039(01)93850-x
• 作为产物：
  描述：

  methyl (8R,11S,14R)-11-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-18,19-dichloro-4-hydroxy-5-iodo-14-[[(2R)-4-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]amino]-10,13-dioxo-2-oxa-9,12-diazatricyclo[14.2.2.13,7]henicosa-1(18),3,5,7(21),16,19-hexaene-8-carboxylate 生成 methyl (8R,11S,14R)-11-(2-amino-2-oxoethyl)-18,19-dichloro-4-hydroxy-5-iodo-14-[[(2R)-4-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]amino]-10,13-dioxo-2-oxa-9,12-diazatricyclo[14.2.2.13,7]henicosa-1(18),3,5,7(21),16,19-hexaene-8-carboxylate
  参考文献：
  名称：

  SUZUKI, YOSHIKAZU;NISHIYAMA, SHIGERU;YAMAMURA, SHOSUKE, TETRAHEDRON LETT., 30,(1989) N4, C. 6043-6046

  摘要：

  DOI：