tert-butyl N-[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamate

• 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: tert-butyl N-[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamate
• 英文别名: tert-butyl N-[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamate
• 化学式: C₅₀H₇₅N₁₁O₁₆S
• 分子量: 1118.3
• InChiKey: IKAJRQNGXPZTNC-GVKBOTPQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  78
• 可旋转键数：
  17
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  427
• 氢给体数：
  13
• 氢受体数：
  17

文献信息

• [EN] METHOD OF PRODUCING AN IMMUNOLIGAND/PAYLOAD CONJUGATE<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN CONJUGUÉ IMMUNOLIGAND/CHARGE
  申请人：NBE THERAPEUTICS LLC

  公开号：WO2014140317A2

  公开（公告）日：2014-09-18

  The present invention relates to a method of producing an immunoligand/payload conjugate, which method encompasses conjugating a payload to an immunoligand by means of a sequence-specific transpeptidase, or a catalytic domain thereof.