(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
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![(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/22e5136204504b3e95098fc3874bb085.png "(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid")
(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
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CAS No:
64398-34-1
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Formula:
C22H19ClN2O5
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Chemical Name:
(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
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Synonyms:
64398-34-1;L-Tryptophan, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-;DTXSID20982955;N-[(5-Chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]tryptophan
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CAS No:
(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid Basic Attributes
426.8 g/mol
426.0982494 g/mol
Computed Properties
Molecular Weight:426.8
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:426.0982494
Monoisotopic Mass:426.0982494
Topological Polar Surface Area:109
Heavy Atom Count:30
Complexity:688
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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