(6R,9S,12S)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-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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(6R,9S,12S)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-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:
42002-26-6
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Formula:
C32H46N4O7
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Chemical Name:
(6R,9S,12S)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-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:
cyclo(O-methyltyrosine-L-isoleucine-L-pipecolic acid-2-amino-8-oxo-9,10-epoxydecanoic acid);Cyl-2;Cyl-2;42002-26-6;DTXSID50962149;Cyclo(O-methyltyrosine-L-isoleucine-L-pipecolic acid-2-amino-8-oxo-9,10-epoxydecanoic acid);(6R,9S,12S)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;9-(Butan-2-yl)-1,4,7-trihydroxy-6-[(4-methoxyphenyl)methyl]-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;Cyclic(eta-oxo-alpha-aminooxiraneoctanoyl-O-methyl-D-tyrosyl-L-isoleucyl-L-2-piperidinecarbonyl)
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CAS No:
(6R,9S,12S)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone Basic Attributes
598.7 g/mol
598.33664982 g/mol
Drug Information
cyclo(O-methyltyrosine-L-isoleucine-L-pipecolic acid-2-amino-8-oxo-9,10-epoxydecanoic acid)
Computed Properties
Molecular Weight:598.7
XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:598.33664982
Monoisotopic Mass:598.33664982
Topological Polar Surface Area:146
Heavy Atom Count:43
Complexity:998
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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