(1S,9S)-N-[(2S)-1-(2,4-dimethylanilino)-1-oxo-3-phenylpropan-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-(2,4-dimethylanilino)-1-oxo-3-phenylpropan-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/dc9176f3a0a742828d88f4af4ec6ea7e.png "(1S,9S)-N-[(2S)-1-(2,4-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide")
(1S,9S)-N-[(2S)-1-(2,4-dimethylanilino)-1-oxo-3-phenylpropan-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:
956324-07-5
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Formula:
C29H32N4O3
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Chemical Name:
(1S,9S)-N-[(2S)-1-(2,4-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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Synonyms:
ZINC2092955;STL548284;AKOS030497255;(1R,5R)-N-((S)-1-((2,4-dimethylphenyl)amino)-1-oxo-3-phenylpropan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide;(1S,5S)-N-{(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxo-3-phenylpropan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide;956324-07-5
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CAS No:
(1S,9S)-N-[(2S)-1-(2,4-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
484.6 g/mol
484.24744090 g/mol
Computed Properties
Molecular Weight:484.6
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:484.24744090
Monoisotopic Mass:484.24744090
Topological Polar Surface Area:81.8
Heavy Atom Count:36
Complexity:908
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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