5-[[8-[[1-[[1-[[5-Amino-1-[[4-[[[4-carboxy-4-[7-[2-[ethyl-(2-methoxy-2-oxoethyl)amino]ethyl]-1,4,7-triazecan-1-yl]butanoyl]amino]methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-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]-4-[[2-[[4-carboxy-4-[7-[2-[ethyl-(2-methoxy-2-oxoethyl)amino]ethyl]-1,4,7-triazecan-1-yl]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 5-[[8-[[1-[[1-[[5-Amino-1-[[4-[[[4-carboxy-4-[7-[2-[ethyl-(2-methoxy-2-oxoethyl)amino]ethyl]-1,4,7-triazecan-1-yl]butanoyl]amino]methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-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]-4-[[2-[[4-carboxy-4-[7-[2-[ethyl-(2-methoxy-2-oxoethyl)amino]ethyl]-1,4,7-triazecan-1-yl]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid
• 英文别名: 5-[[8-[[1-[[1-[[5-amino-1-[[4-[[[4-carboxy-4-[7-[2-[ethyl-(2-methoxy-2-oxoethyl)amino]ethyl]-1,4,7-triazecan-1-yl]butanoyl]amino]methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-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]-4-[[2-[[4-carboxy-4-[7-[2-[ethyl-(2-methoxy-2-oxoethyl)amino]ethyl]-1,4,7-triazecan-1-yl]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid
• 化学式: C₁₀₈H₁₆₁ClN₂₂O₂₇S₂
• 分子量: 2299.1
• InChiKey: SMMJDVPIJPXTPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.5
• 重原子数：
  160
• 可旋转键数：
  56
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  732
• 氢给体数：
  21
• 氢受体数：
  37