arthrofactin
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arthrofactin
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CAS No:
152406-36-5
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Formula:
C64H111N11O20
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Chemical Name:
arthrofactin
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Synonyms:
arthrofactin;2,2"-((3S,6S,9S,12R,15S,18R,21R,24R,30R,33R)-6,9-di((S)-sec-butyl)-37-heptyl-27-((S)-1-hydroxyethyl)-12,18-bis(hydroxymethyl)-15,21,24,33-tetraisobutyl-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34-undecaazacycloheptatriacontane-3,30-diyl)diacetic acid;L-Aspartic acid, N-(N-(N-(N-(N-(N-(N-(N-(N-(N-(N-(3-hydroxy-1-oxodecyl)-D-leucyl)-D-alpha-aspartyl)-D-threonyl)-D-leucyl)-D-leucyl)-D-seryl)-L-leucyl)-D-seryl)-L-isoleucyl)-L-isoleucyl)-, lambda1-lactone
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CAS No:
Computed Properties
Molecular Weight:1354.6
XLogP3:5.6
Hydrogen Bond Donor Count:16
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:25
Exact Mass:1353.80068497
Monoisotopic Mass:1353.80068497
Topological Polar Surface Area:482
Heavy Atom Count:95
Complexity:2570
Defined Atom Stereocenter Count:13
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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