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Substance Name: Colistin heptapeptide
RN: 75748-25-3
InChIKey: HCSATRDQWBMHRF-UHFFFAOYSA-N

Molecular Weight

  • 727.903
 
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Names and Synonyms

Name of Substance

  • Colistin heptapeptide

Systematic Name

  • Polymyxin E1, 1-de(N2-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-de-L-threonine-3-de(L-2,4-diaminobutanoic acid)-, (1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-

Registry Numbers

CAS Registry Number

  • 75748-25-3

System Generated Number

  • 0075748253

Structure Descriptors

InChI

1S/C32H61N11O8/c1-16(2)14-23-30(49)40-21(7-11-34)27(46)39-22(8-12-35)29(48)43-25(18(5)44)32(51)37-13-9-19(36)26(45)38-20(6-10-33)28(47)41-24(15-17(3)4)31(50)42-23/h16-25,44H,6-15,33-36H2,1-5H3,(H,37,51)(H,38,45)(H,39,46)(H,40,49)(H,41,47)(H,42,50)(H,43,48)

InChIKey

HCSATRDQWBMHRF-UHFFFAOYSA-N

Smiles

N1[C@@H](CCN)C(=O)N[C@@H](C(N[C@@H](C(N[C@@H](CCN)C(N[C@@H](CCN)C(=O)N[C@@H](C(NCC[C@@H](C1=O)N)=O)[C@@H](O)C)=O)=O)CC(C)C)=O)CC(C)C