(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-methylbutanoic acid
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![(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-methylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/486a98fb891949aa93134bca985bdc50.png "(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-methylbutanoic acid")
(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-methylbutanoic acid
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CAS No:
64398-35-2
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Formula:
C16H18ClNO5
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Chemical Name:
(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-methylbutanoic acid
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Synonyms:
64398-35-2;L-Valine, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-;DTXSID80982956;N-[(5-Chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]valine
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CAS No:
(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-methylbutanoic acid Basic Attributes
339.77 g/mol
339.0873504 g/mol
Computed Properties
Molecular Weight:339.77
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:339.0873504
Monoisotopic Mass:339.0873504
Topological Polar Surface Area:92.7
Heavy Atom Count:23
Complexity:495
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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