(1S,9S)-N-[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-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-[(9-ethylcarbazol-3-yl)amino]-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/abb887766d754b78ad903a32e4af8cd8.png "(1S,9S)-N-[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-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-[(9-ethylcarbazol-3-yl)amino]-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:
956624-17-2
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Formula:
C31H35N5O3S
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Chemical Name:
(1S,9S)-N-[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-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:
C31H35N5O3S;ZINC2095684;STL537116;AKOS030497847;(1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)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-[(9-ethyl-9H-carbazol-3-yl)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;956624-17-2
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CAS No:
(1S,9S)-N-[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
557.7 g/mol
557.24606117 g/mol
Computed Properties
Molecular Weight:557.7
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:557.24606117
Monoisotopic Mass:557.24606117
Topological Polar Surface Area:112
Heavy Atom Count:40
Complexity:1050
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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