(4-butyl-6-chloro-2-oxochromen-7-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
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![(4-butyl-6-chloro-2-oxochromen-7-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/24c4cf83e2a442d9a316dce245a0d25c.png "(4-butyl-6-chloro-2-oxochromen-7-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate")
(4-butyl-6-chloro-2-oxochromen-7-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
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CAS No:
956041-37-5
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Formula:
C23H30ClNO6
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Chemical Name:
(4-butyl-6-chloro-2-oxochromen-7-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
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Synonyms:
ZINC2150776;STK991661;AKOS016355487;MCULE-2989089816;4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-L-valinate;(S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate;956041-37-5
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CAS No:
(4-butyl-6-chloro-2-oxochromen-7-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Basic Attributes
451.9 g/mol
451.1761654 g/mol
Computed Properties
Molecular Weight:451.9
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:451.1761654
Monoisotopic Mass:451.1761654
Topological Polar Surface Area:90.9
Heavy Atom Count:31
Complexity:699
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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