(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]pentanedioic acid
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![(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/03e2d6dbc6cc4979a214c78712e8ee42.png "(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]pentanedioic acid")
(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]pentanedioic acid
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CAS No:
64398-42-1
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Formula:
C16H16ClNO7
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Chemical Name:
(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]pentanedioic acid
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Synonyms:
64398-42-1;L-Glutamic acid, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-;DTXSID50982963;N-[(5-Chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]glutamic acid
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CAS No:
(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]pentanedioic acid Basic Attributes
369.75 g/mol
369.0615295 g/mol
Computed Properties
Molecular Weight:369.75
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:369.0615295
Monoisotopic Mass:369.0615295
Topological Polar Surface Area:130
Heavy Atom Count:25
Complexity:567
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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