Polymyxin B1, 1-(L-2,4-diaminobutanoic acid)-
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Polymyxin B1, 1-(L-2,4-diaminobutanoic acid)-
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CAS No:
76014-40-9
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Formula:
C47H82N16O12
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Chemical Name:
Polymyxin B1, 1-(L-2,4-diaminobutanoic acid)-
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Synonyms:
deacylpolymyxin B;Deacylpolymyxin B;76014-40-9;Polymyxin B1, 1-(L-2,4-diaminobutanoic acid)-;N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-2-(2,4-diaminobutanoylamino)-3-hydroxybutanamide
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CAS No:
Computed Properties
Molecular Weight:1063.3
XLogP3:-6
Hydrogen Bond Donor Count:18
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:22
Exact Mass:1062.62981211
Monoisotopic Mass:1062.62981211
Topological Polar Surface Area:488
Heavy Atom Count:75
Complexity:1890
Undefined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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