circulin A
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circulin A
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CAS No:
5854-98-8
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Formula:
C53H100N16O13
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Chemical Name:
circulin A
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Synonyms:
circulin A;Isoleucinepolymyxin E1;N2-(6-Methyl-1-oxooctyl-L-A2bu-L-Thr-L-A2bu-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Ile-L-A2bu-L-A2bu-L-Thr-);N2-(6-Methyloctanoyl-L-A2bu-L-Thr-L-A2bu-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Ile-L-A2bu-L-A2bu-L-Thr-)
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CAS No:
Computed Properties
Molecular Weight:1169.5
XLogP3:-2.8
Hydrogen Bond Donor Count:18
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:29
Exact Mass:1168.76557731
Monoisotopic Mass:1168.76557731
Topological Polar Surface Area:491
Heavy Atom Count:82
Complexity:2070
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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