莫罗德明

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 中文名称: 莫罗德明
• 英文名称: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(4R,7S,10S,16S,19S,25S,28S,31R)-31-[[(2S)-4-amino-2-[[(1R,6R,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39R,44R,50S,53S,56S,59S,62S,68S,73S,76S,85S)-76-(2-amino-2-oxoethyl)-30-[(2S)-butan-2-yl]-27-(2-carboxyethyl)-18,62-bis(carboxymethyl)-44-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-9-[(1R)-1-hydroxyethyl]-15,24,53,56-tetrakis(hydroxymethyl)-12,59,68-tris[(4-hydroxyphenyl)methyl]-33-(1H-imidazol-4-ylmethyl)-21,73-bis(2-methylpropyl)-36-(2-methylsulfanylethyl)-8,11,14,17,20,23,26,29,32,35,38,45,51,54,57,60,63,66,69,71,74,77,80,83,86-pentacosaoxo-85-propan-2-yl-3,4,41,42-tetrathia-7,10,13,16,19,22,25,28,31,34,37,46,52,55,58,61,64,67,70,72,75,78,81,84,87-pentacosazatricyclo[37.31.17.046,50]heptaoctacontane-6-carbonyl]amino]-4-oxobutanoyl]amino]-25-[(2S)-butan-2-yl]-7-(3-carbamimidamidopropyl)-10-(carboxymethyl)-16-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-6,9,12,15,18,21,24,27,30-nonaoxo-28-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carbonyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(2S)-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
• 化学式: C₂₅₇H₃₇₅N₇₃O₈₃S₇
• 分子量: 6040.0
• InChiKey: WLGOTMXHWBRTJA-GACYYNSASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -16.7
• 重原子数：
  420
• 可旋转键数：
  120
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  2700
• 氢给体数：
  90
• 氢受体数：
  96