Polymyxin E1, 1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(phenoxyacetyl)-L-threonine)-, hydrochlorideCAS:52396-34-6Purity:98% HPLC Package:5mg;1G;10G;100G;1KG
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Polymyxin E1, 1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(phenoxyacetyl)-L-threonine)-, hydrochlorideCAS:52396-34-6Purity:98% HPLC Package:5mg;1G;10G;100G;1KG
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CAS No:
52396-34-6
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Formula:
C48H83ClN14O13
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Chemical Name:
Polymyxin E1, 1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(phenoxyacetyl)-L-threonine)-, hydrochlorideCAS:52396-34-6Purity:98% HPLC Package:5mg;1G;10G;100G;1KG
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Synonyms:
Polymyxin E1,1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(phenoxyacetyl)-L-threonine)-,hydrochloride; N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxy-2-[(2-phenoxyacetyl)amino]butanamide hydrochloride; Phenoxyacetyl colistin nonapeptide hydrochloride;
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CAS No:
Polymyxin E1, 1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(phenoxyacetyl)-L-threonine)-, hydrochlorideCAS:52396-34-6Purity:98% HPLC Package:5mg;1G;10G;100G;1KG Basic Attributes
1099.71000
1098.5952565
Computed Properties
Molecular Weight:1099.7
Hydrogen Bond Donor Count:17
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:22
Exact Mass:1098.5952565
Monoisotopic Mass:1098.5952565
Topological Polar Surface Area:445
Heavy Atom Count:76
Complexity:1890
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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