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Substance Name: Colistin nonapeptide
RN: 32530-94-2
InChIKey: WNPBEUWOUYCJJR-UHFFFAOYSA-N

Molecular Weight

  • 929.127
 
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Names and Synonyms

Name of Substance

  • Colistin nonapeptide

Systematic Name

  • Polymyxin E1, 1-de(N2-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-, (S)-

Registry Numbers

CAS Registry Number

  • 32530-94-2

System Generated Number

  • 0032530942

Structure Descriptors

InChI

1S/C40H76N14O11/c1-19(2)17-28-37(62)49-23(7-12-41)32(57)48-26(10-15-44)36(61)54-31(22(6)56)40(65)46-16-11-27(50-33(58)25(9-14-43)51-39(64)30(45)21(5)55)35(60)47-24(8-13-42)34(59)52-29(18-20(3)4)38(63)53-28/h19-31,55-56H,7-18,41-45H2,1-6H3,(H,46,65)(H,47,60)(H,48,57)(H,49,62)(H,50,58)(H,51,64)(H,52,59)(H,53,63)(H,54,61)

InChIKey

WNPBEUWOUYCJJR-UHFFFAOYSA-N

Smiles

C(C(C)C)[C@@H]1NC([C@@H](NC([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](N)[C@@H](C)O)CCNC([C@@H](NC([C@@H](NC(=O)[C@@H](CCN)NC1=O)CCN)=O)[C@@H](O)C)=O)CCN)=O)CC(C)C)=O