(2R)-3-[[2-carboxy-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]ethyl]disulfanyl]-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]propanoic acid
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![(2R)-3-[[2-carboxy-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]ethyl]disulfanyl]-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6e16e3e9f7c7467e913dd69b61361b9f.png "(2R)-3-[[2-carboxy-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]ethyl]disulfanyl]-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]propanoic acid")
(2R)-3-[[2-carboxy-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]ethyl]disulfanyl]-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]propanoic acid
structure -
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CAS No:
64398-40-9
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Formula:
C28H26Cl2N2O10S2
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Chemical Name:
(2R)-3-[[2-carboxy-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]ethyl]disulfanyl]-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]propanoic acid
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Synonyms:
64398-40-9;L-Cystine, N,N'-bis((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-;DTXSID30982961;N,N'-Bis[(5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]cystine
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CAS No:
(2R)-3-[[2-carboxy-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]ethyl]disulfanyl]-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]propanoic acid Basic Attributes
685.5 g/mol
684.0405928 g/mol
Computed Properties
Molecular Weight:685.5
XLogP3:4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:11
Exact Mass:684.0405928
Monoisotopic Mass:684.0405928
Topological Polar Surface Area:236
Heavy Atom Count:44
Complexity:1060
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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