2-[13-[3-[[4-[[[5-Amino-2-[[2-[[2-[[3-[[4-carboxy-2-[[2-[3-[4-(carboxymethyl)-7-[2-(carboxymethyl-ethyl-methylazaniumyl)ethyl]-1,4-dimethyl-9,13-dioxo-10,12-dioxa-7-aza-1,4-diazoniabicyclo[9.3.0]tetradecan-14-yl]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoyl]amino]-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]tricosane-8-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-oxopropyl]-9-(carboxymethyl)-6,9,12,12-tetramethyl-4,14-dioxo-1,3-dioxa-6,9,12-triazoniacyclotetradec-6-yl]ethyl-(carboxymethyl)-ethyl-methylazanium

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[13-[3-[[4-[[[5-Amino-2-[[2-[[2-[[3-[[4-carboxy-2-[[2-[3-[4-(carboxymethyl)-7-[2-(carboxymethyl-ethyl-methylazaniumyl)ethyl]-1,4-dimethyl-9,13-dioxo-10,12-dioxa-7-aza-1,4-diazoniabicyclo[9.3.0]tetradecan-14-yl]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoyl]amino]-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]tricosane-8-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-oxopropyl]-9-(carboxymethyl)-6,9,12,12-tetramethyl-4,14-dioxo-1,3-dioxa-6,9,12-triazoniacyclotetradec-6-yl]ethyl-(carboxymethyl)-ethyl-methylazanium
• 英文别名: 2-[13-[3-[[4-[[[5-amino-2-[[2-[[2-[[3-[[4-carboxy-2-[[2-[3-[4-(carboxymethyl)-7-[2-(carboxymethyl-ethyl-methylazaniumyl)ethyl]-1,4-dimethyl-9,13-dioxo-10,12-dioxa-7-aza-1,4-diazoniabicyclo[9.3.0]tetradecan-14-yl]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoyl]amino]-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]tricosane-8-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-oxopropyl]-9-(carboxymethyl)-6,9,12,12-tetramethyl-4,14-dioxo-1,3-dioxa-6,9,12-triazoniacyclotetradec-6-yl]ethyl-(carboxymethyl)-ethyl-methylazanium
• 化学式: C118H178ClN22O35S2+7
• 分子量: 2564.4
• InChiKey: SORGSJFFEGFZHN-UHFFFAOYSA-U

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  178
• 可旋转键数：
  54
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  819
• 氢给体数：
  21
• 氢受体数：
  38