Polymyxin E1,1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(1-oxohexyl)-L-threonine)-,hydrochloride
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Polymyxin E1,1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(1-oxohexyl)-L-threonine)-,hydrochloride
structure -
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CAS No:
51887-95-7
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Formula:
C46H87ClN14O12
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Chemical Name:
Polymyxin E1,1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(1-oxohexyl)-L-threonine)-,hydrochloride
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Synonyms:
N-[1-[[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]amino]-3-hydroxy-1-oxobutan-2-yl]hexanamide hydrochloride; Polymyxin E1,1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(1-oxohexyl)-L-threonine)-,hydrochloride; n-Hexanoyl 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-(1-oxohexyl)-L-threonine)-,hydrochloride Basic Attributes
1063.72000
1062.6316420
Computed Properties
Molecular Weight:1063.7
Hydrogen Bond Donor Count:17
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:23
Exact Mass:1062.6316420
Monoisotopic Mass:1062.6316420
Topological Polar Surface Area:436
Heavy Atom Count:73
Complexity:1790
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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