9-methyl-3-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
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9-methyl-3-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
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CAS No:
106973-32-4
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Formula:
C20H30N4O6
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Chemical Name:
9-methyl-3-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
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Synonyms:
106973-32-4;Toxin Ii (helminthosporium Carbonum);HC Toxin II;ACMC-20cbyp;SCHEMBL9754027;DTXSID20910197;Cyclo(alanylglycyl-a-amino-h-oxooxiraneoctanoylprolyl) (9CI);Cyclo(alanylglycyl-8-oxiranyl-8-oxo-2-aminooctanoylprolyl);1,4,7-Trihydroxy-3-methyl-9-[6-(oxiran-2-yl)-6-oxohexyl]-6,9,12,13,14,14a-hexahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-10(3H)-one
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CAS No:
9-methyl-3-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone Basic Attributes
422.5 g/mol
422.21653469 g/mol
Computed Properties
Molecular Weight:422.5
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:422.21653469
Monoisotopic Mass:422.21653469
Topological Polar Surface Area:137
Heavy Atom Count:30
Complexity:711
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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