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Home > Encyclopedia > (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

(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

(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 structure

(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 

structure
  • CAS No:

    42002-26-6

  • Formula:

    C32H46N4O7

  • 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

  • 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)

(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

Characteristics

146 Ų

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

Guide of (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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