(3S)-4-(4-hydroxyphenyl)-2-oxo-3-{[(6S,9R,12S,15S,18R,21S,24R,27S)-9,18,21-tribenzyl-15-(carbamoylmethyl)-24-{3-[(diaminomethylidene)amino]propyl}-27-[(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanamido]-12-methyl-8,11,14,17,20,23,26-heptaoxo-1,2,3,4-tetrathia-7,10,13,16,19,22,25-heptaazacyclooctacosan-6-yl]formamido}butanamide

• 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: (3S)-4-(4-hydroxyphenyl)-2-oxo-3-{[(6S,9R,12S,15S,18R,21S,24R,27S)-9,18,21-tribenzyl-15-(carbamoylmethyl)-24-{3-[(diaminomethylidene)amino]propyl}-27-[(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanamido]-12-methyl-8,11,14,17,20,23,26-heptaoxo-1,2,3,4-tetrathia-7,10,13,16,19,22,25-heptaazacyclooctacosan-6-yl]formamido}butanamide
• 英文别名: (6S,9R,12S,15S,18R,21S,24R,27S)-N-[(2S)-4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-15-(2-amino-2-oxoethyl)-9,18,21-tribenzyl-24-(3-carbamimidamidopropyl)-27-[[(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl]amino]-12-methyl-8,11,14,17,20,23,26-heptaoxo-1,2,3,4-tetrathia-7,10,13,16,19,22,25-heptazacyclooctacosane-6-carboxamide
• 化学式: C₆₅H₈₀N₁₆O₁₄S₄
• 分子量: 1437.7
• InChiKey: OKOCHODOEYLAGS-IYYUMRKJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  99
• 可旋转键数：
  24
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  607
• 氢给体数：
  18
• 氢受体数：
  21