2-[4,7-bis(2,2-dihydroxyethyl)-10-[2-[[(2R)-1-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[(2S)-3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-1-oxo-3-(trihydroxy-lambda4-sulfanyl)propan-2-yl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;[(1R)-1-[[(2S)-2-[[2-[4-(carboxymethyl)-7,10-bis(2,2-dihydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-5-[[(2R)-1-[3-[3-[[(2S)-2-carboxy-2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]carbamoyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxoquinolin-1-yl]propylamino]-1-oxo-3-(trihydroxy-lambda4-sulfanyl)propan-2-yl]amino]-5-oxopentanoyl]amino]-2-sulfoethyl]-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[(2S)-3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propyl]-oxoazanium

• 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: 2-[4,7-bis(2,2-dihydroxyethyl)-10-[2-[[(2R)-1-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[(2S)-3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-1-oxo-3-(trihydroxy-lambda4-sulfanyl)propan-2-yl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;[(1R)-1-[[(2S)-2-[[2-[4-(carboxymethyl)-7,10-bis(2,2-dihydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-5-[[(2R)-1-[3-[3-[[(2S)-2-carboxy-2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]carbamoyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxoquinolin-1-yl]propylamino]-1-oxo-3-(trihydroxy-lambda4-sulfanyl)propan-2-yl]amino]-5-oxopentanoyl]amino]-2-sulfoethyl]-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[(2S)-3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propyl]-oxoazanium
• 英文别名: 2-[4,7-bis(2,2-dihydroxyethyl)-10-[2-[[(2R)-1-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[(2S)-3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-1-oxo-3-(trihydroxy-λ4-sulfanyl)propan-2-yl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;[(1R)-1-[[(2S)-2-[[2-[4-(carboxymethyl)-7,10-bis(2,2-dihydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-5-[[(2R)-1-[3-[3-[[(2S)-2-carboxy-2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]carbamoyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxoquinolin-1-yl]propylamino]-1-oxo-3-(trihydroxy-λ4-sulfanyl)propan-2-yl]amino]-5-oxopentanoyl]amino]-2-sulfoethyl]-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[(2S)-3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propyl]-oxoazanium
• 化学式: C134H192N33O44S6+
• 分子量: 3161.6
• InChiKey: QRGKNHRJRJVWHG-QGSQSMCMSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -3.66
• 重原子数：
  217
• 可旋转键数：
  75
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  1150
• 氢给体数：
  36
• 氢受体数：
  66