(1S,9S)-N-[(2S)-1-(4-butylanilino)-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-butylanilino)-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/c735415c2ec2405984631c218f1b94f3.png "(1S,9S)-N-[(2S)-1-(4-butylanilino)-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-butylanilino)-3-methyl-1-oxobutan-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:
956044-72-7
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Formula:
C27H36N4O3
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Chemical Name:
(1S,9S)-N-[(2S)-1-(4-butylanilino)-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:
ZINC2149534;STL537570;AKOS030496921;(1R,5R)-N-((S)-1-((4-butylphenyl)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-butylphenyl)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;956044-72-7
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CAS No:
(1S,9S)-N-[(2S)-1-(4-butylanilino)-3-methyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
464.6 g/mol
464.27874102 g/mol
Computed Properties
Molecular Weight:464.6
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:464.27874102
Monoisotopic Mass:464.27874102
Topological Polar Surface Area:81.8
Heavy Atom Count:34
Complexity:828
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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