(1S,9S)-N-[(2S)-1-(2-ethylanilino)-3-methyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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![(1S,9S)-N-[(2S)-1-(2-ethylanilino)-3-methyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4352a6aa1b3f41e38de48072b0ec251c.png "(1S,9S)-N-[(2S)-1-(2-ethylanilino)-3-methyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide")
(1S,9S)-N-[(2S)-1-(2-ethylanilino)-3-methyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
structure -
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CAS No:
956046-97-2
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Formula:
C25H32N4O3
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Chemical Name:
(1S,9S)-N-[(2S)-1-(2-ethylanilino)-3-methyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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Synonyms:
ZINC2150406;STL545935;AKOS030497046;(1R,5R)-N-((S)-1-((2-ethylphenyl)amino)-3-methyl-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide;(1S,5R)-N-{(2S)-1-[(2-ethylphenyl)amino]-3-methyl-1-oxobutan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide;956046-97-2
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CAS No:
(1S,9S)-N-[(2S)-1-(2-ethylanilino)-3-methyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
436.5 g/mol
436.24744090 g/mol
Computed Properties
Molecular Weight:436.5
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:436.24744090
Monoisotopic Mass:436.24744090
Topological Polar Surface Area:81.8
Heavy Atom Count:32
Complexity:805
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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