(1S,9S)-N-[(2S)-3-methyl-1-(4-methylanilino)-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)-3-methyl-1-(4-methylanilino)-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/f4664b6bbe8d4bab97d4a4a4e0b3f3ab.png "(1S,9S)-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide")
(1S,9S)-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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CAS No:
956041-32-0
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Formula:
C24H30N4O3
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Chemical Name:
(1S,9S)-N-[(2S)-3-methyl-1-(4-methylanilino)-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:
MLS001141189;CHEMBL1560864;HMS2270C06;ZINC2150582;STL546784;AKOS030497071;SMR000647437;AB00864363-06;(1R,5R)-N-((S)-3-methyl-1-oxo-1-(p-tolylamino)butan-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)-3-methyl-1-[(4-methylphenyl)amino]-1-oxobutan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide;956041-32-0
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CAS No:
(1S,9S)-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
422.5 g/mol
422.23179083 g/mol
Computed Properties
Molecular Weight:422.5
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:422.23179083
Monoisotopic Mass:422.23179083
Topological Polar Surface Area:81.8
Heavy Atom Count:31
Complexity:782
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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