(3S,6R,9S,12S)-6-benzyl-3-(2-methylpropyl)-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
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![(3S,6R,9S,12S)-6-benzyl-3-(2-methylpropyl)-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/631a7b67f149497b8db3ef80f834931a.png "(3S,6R,9S,12S)-6-benzyl-3-(2-methylpropyl)-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone")
(3S,6R,9S,12S)-6-benzyl-3-(2-methylpropyl)-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
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CAS No:
86402-37-1
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Formula:
C31H44N4O6
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Chemical Name:
(3S,6R,9S,12S)-6-benzyl-3-(2-methylpropyl)-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
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Synonyms:
WF 3161;WF-3161;WF 3161;86402-37-1;wf-3161;(3S,6R,9S,12S)-6-benzyl-3-(2-methylpropyl)-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;Antibiotic WF 3161;Antibiotic FR 900261;FR 900261;DTXSID701006806;Cyclic(eta-oxo-alpha-aminooxiraneoctanoylphenylalanylleucyl-2-piperidinecarbonyl);6-Benzyl-1,4,7-trihydroxy-9-(2-methylpropyl)-3-[6-(oxiran-2-yl)-6-oxohexyl]-3,6,9,12,13,14,15,15a-octahydro-10H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-10-one
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CAS No:
(3S,6R,9S,12S)-6-benzyl-3-(2-methylpropyl)-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone Basic Attributes
568.7 g/mol
568.32608514 g/mol
Computed Properties
Molecular Weight:568.7
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:568.32608514
Monoisotopic Mass:568.32608514
Topological Polar Surface Area:137
Heavy Atom Count:41
Complexity:949
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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