(4R)-4-[[(2S)-2-[[3-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-2-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-(methylcarbamoyl)-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate;methyl 5-[[4-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[4-[4,10-bis(2-methoxy-2-oxoethyl)-7-(2-methoxyprop-2-enyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate

• 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: (4R)-4-[[(2S)-2-[[3-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-2-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-(methylcarbamoyl)-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate;methyl 5-[[4-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[4-[4,10-bis(2-methoxy-2-oxoethyl)-7-(2-methoxyprop-2-enyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate
• 化学式: C244H383ClN50O77S2
• 分子量: 5349.0
• InChiKey: TWDQVKRCHSSXFR-DCOXNOBLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.79
• 重原子数：
  374
• 可旋转键数：
  147
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  1610
• 氢给体数：
  30
• 氢受体数：
  103