Aculeacin A
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Aculeacin A
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CAS No:
58814-86-1
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Formula:
C50H81N7O16
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Chemical Name:
Aculeacin A
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Synonyms:
Aculeacin A;Echinocandin B,1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxohexadecyl)-L-ornithine]-;1H-Dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacycloheneicosine,cyclic peptide deriv.;L-Proline,(4R,5R)-4,5-dihydroxy-N2-(1-oxohexadecyl)-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-threonyl-3-hydroxy-4-methyl-,cyclic (6→1)-peptide,(2α,3β,4β)-;67249-44-9
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CAS No:
Computed Properties
Molecular Weight:1036.2
XLogP3:3
Hydrogen Bond Donor Count:14
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:20
Exact Mass:1035.57397952
Monoisotopic Mass:1035.57397952
Topological Polar Surface Area:368
Heavy Atom Count:73
Complexity:1810
Undefined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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