(1S,9S)-N-[(2S)-1-(2-ethylanilino)-4-methylsulfanyl-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)-4-methylsulfanyl-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/a67efb21d0ef4f6eaa490855d334b479.png "(1S,9S)-N-[(2S)-1-(2-ethylanilino)-4-methylsulfanyl-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)-4-methylsulfanyl-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:
956777-87-0
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Formula:
C25H32N4O3S
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Chemical Name:
(1S,9S)-N-[(2S)-1-(2-ethylanilino)-4-methylsulfanyl-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:
ZINC2095325;STL547055;AKOS030497708;(1R,5R)-N-((S)-1-((2-ethylphenyl)amino)-4-(methylthio)-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-[(2-ethylphenyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide;956777-87-0
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CAS No:
(1S,9S)-N-[(2S)-1-(2-ethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
468.6 g/mol
468.21951207 g/mol
Computed Properties
Molecular Weight:468.6
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:468.21951207
Monoisotopic Mass:468.21951207
Topological Polar Surface Area:107
Heavy Atom Count:33
Complexity:814
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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