Chemical Compound

pentasodium (((3S)-4-(((3S,6S,9S,12S,15R,18S,21S)-3-((1R)-1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris(2-((sulfonatomethyl)amino)ethyl)-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)-3-(((2S,3R)-3-hydroxy-2-(((2S)-2-(((6R)-6-methyloctanoyl)amino)-4-((sulfonatomethyl)amino)butanoyl)amino)butanoyl)amino)-4-oxobutyl)amino)methanesulfonate

CAS Registry Number 24708-58-5
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pentasodium (((3S)-4-(((3S,6S,9S,12S,15R,18S,21S)-3-((1R)-1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris(2-((sulfonatomethyl)amino)ethyl)-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)-3-(((2S,3R)-3-hydroxy-2-(((2S)-2-(((6R)-6-methyloctanoyl)amino)-4-((sulfonatomethyl)amino)butanoyl)amino)butanoyl)amino)-4-oxobutyl)amino)methanesulfonate 结构式
Primary record

pentasodium (((3S)-4-(((3S,6S,9S,12S,15R,18S,21S)-3-((1R)-1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris(2-((sulfonatomethyl)amino)ethyl)-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)-3-(((2S,3R)-3-hydroxy-2-(((2S)-2-(((6R)-6-methyloctanoyl)amino)-4-((sulfonatomethyl)amino)butanoyl)amino)butanoyl)amino)-4-oxobutyl)amino)methanesulfonate

库存
2,888 克
纯度
99.7 %
CAS
24708-58-5

化合物标识与属性

CAS
24708-58-5
PubChem CID
66571288
SMILES
CC[C@H](C)CCCCC(=O)N[C@@H](CCNCS(=O)(=O)[O-])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCNCS(=O)(=O)[O-])C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCNCS(=O)(=O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)[O-])CCNCS(=O)(=O)[O-])[C@@H](C)O.[Na+].[Na+].[Na+].[Na+].[Na+]
Canonical SMILES
CC[C@H](C)CCCCC(=O)N[C@@H](CCNCS(=O)(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](CCNCS(=O)(=O)[O-])C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCNCS(=O)(=O)[O-])NC(=O)[C@H](CCNCS(=O)(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCNCS(=O)(=O)[O-])NC1=O)[C@@H](C)O.[Na+].[Na+].[Na+].[Na+].[Na+]

名称与同义词

  • UNII-0REB5D8ERB
  • 0REB5D8ERB
  • Colistin A sodium methanesulfonate
  • Colistin A sodium methanesulphonate
  • Colistimethate sodium (a component)
  • RefChem:127450
  • colistin A sulfomethate sodium
  • DTXSID00179447
  • polymyxin E1 sulfomethate sodium
  • CHEBI:59663
  • DTXCID30101938
  • polymyxin E1 sodium methanesulfonate
  • 24708-58-5
  • pentasodium (((3S)-4-(((3S,6S,9S,12S,15R,18S,21S)-3-((1R)-1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris(2-((sulfonatomethyl)amino)ethyl)-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)-3-(((2S,3R)-3-hydroxy-2-(((2S)-2-(((6R)-6-methyloctanoyl)amino)-4-((sulfonatomethyl)amino)butanoyl)amino)butanoyl)amino)-4-oxobutyl)amino)methanesulfonate
  • Pentasodium {[(2S,5R,8S,11S,14S,17S,22S)-17-[(1R)-1-hydroxyethyl]-22-{(2S)-2-[(2S,3R)-3-hydroxy-2-{(2S)-2-[(6S)-6-methyloctanamido]-4-[(sulfonatomethyl)amino]butanamido}butanamido]-4-[(sulfonatomethyl)amino]butanamido}-5,8-bis(2-methylpropyl)-3,6,9,12,15,18,23-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosane-2,11,14-triyl]tris(ethane-2,1-diylazanediyl)}trimethanesulfonate
  • pentasodium {[(3S)-4-{[(3S,6S,9S,12S,15R,18S,21S)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris{2-[(sulfonatomethyl)amino]ethyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-3-{[(2S,3R)-3-hydroxy-2-({(2S)-2-{[(6R)-6-methyloctanoyl]amino}-4-[(sulfonatomethyl)amino]butanoyl}amino)butanoyl]amino}-4-oxobutyl]amino}methanesulfonate