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Substance Name: Colistin-1,3,5,9-tetramethanesulfonic A acid
RN: 30387-39-4
UNII: 76Z8VB787C
InChIKey: ZXYYNNMHQSUIER-UKUNXGILSA-N

Molecular Formula

  • C57-H108-N16-O25-S4

Molecular Weight

  • 1545.8312
 
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Names and Synonyms

Name of Substance

  • Colistin-1,3,5,9-tetramethanesulfonic A acid

Synonyms

  • Colistin A, 1-(L-2-(6-methyloctanamido)-4-((sulfomethyl)amino)butyric ACID)-3-(L-2-amino-4-((sulfomethyl)amino)butyric ACID)-5-(L-2-amino-4-((sulfomethyl)amino)butyric ACID)-9-(L-2-amino-4-((sulfomethyl)amino)butyric acid)-
  • Colistin-1,3,5,9-tetramethanesulfonic A acid
  • Polymyxin E1, 1-((2S)-2-((6-methyl-1-oxooctyl)amino)-4-((sulfomethyl)amino)butanoic ACID)-3-((2S)-2-amino-4-((sulfomethyl)amino)butanoic ACID)-5-((2S)-2-amino-4-((sulfomethyl)amino)butanoic ACID)-9-((2S)-2-amino-4-((sulfomethyl)amino)butanoic acid)-
  • Polymyxin E1, 1-(N2-(6-methyl-1-oxooctyl)-N4-(sulfomethyl)-L-2,4-diaminobutanoic ACID)-3-(N4-(sulfomethyl)-L-2,4-diaminobutanoic ACID)-5-(N4-(sulfomethyl)-L-2,4-diaminobutanoic ACID)-9-(N4-(sulfomethyl)-L-2,4-diaminobutanoic acid)-
  • UNII-76Z8VB787C

Registry Numbers

CAS Registry Number

  • 30387-39-4

FDA UNII

  • 76Z8VB787C

System Generated Number

  • 0030387394

Structure Descriptors

InChI

1S/C57H108N16O25S4/c1-9-34(6)12-10-11-13-45(76)64-38(15-21-59-28-99(87,88)89)52(81)73-47(36(8)75)57(86)69-40(17-23-61-30-101(93,94)95)49(78)68-42-19-25-63-56(85)46(35(7)74)72-53(82)41(18-24-62-31-102(96,97)98)67-48(77)37(14-20-58)65-54(83)43(26-32(2)3)71-55(84)44(27-33(4)5)70-51(80)39(66-50(42)79)16-22-60-29-100(90,91)92/h32-44,46-47,59-62,74-75H,9-31,58H2,1-8H3,(H,63,85)(H,64,76)(H,65,83)(H,66,79)(H,67,77)(H,68,78)(H,69,86)(H,70,80)(H,71,84)(H,72,82)(H,73,81)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)/t34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,44+,46-,47-/m0/s1

InChIKey

ZXYYNNMHQSUIER-UKUNXGILSA-N

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](CCNCS(=O)(=O)O)NC(=O)[C@H](CCN)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