(1S,9S)-N-[(2S)-1-(4-acetamidoanilino)-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-(4-acetamidoanilino)-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/20220811/9f359c541f8d4e4da1ecace321dd453a.png "(1S,9S)-N-[(2S)-1-(4-acetamidoanilino)-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-(4-acetamidoanilino)-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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CAS No:
956050-58-1
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Formula:
C25H31N5O4
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Chemical Name:
(1S,9S)-N-[(2S)-1-(4-acetamidoanilino)-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:
MLS001141190;CHEMBL1880902;HMS2270C04;ZINC2092197;STL549148;AKOS030496492;SMR000647438;AB00864361-06;(1R,5R)-N-((S)-1-((4-acetamidophenyl)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,5S)-N-[(2S)-1-{[4-(acetylamino)phenyl]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;956050-58-1
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CAS No:
(1S,9S)-N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
465.5 g/mol
465.23760449 g/mol
Computed Properties
Molecular Weight:465.5
XLogP3:1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:465.23760449
Monoisotopic Mass:465.23760449
Topological Polar Surface Area:111
Heavy Atom Count:34
Complexity:890
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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