(2R)-3-benzylsulfanyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid
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![(2R)-3-benzylsulfanyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5996e4b516fd4e1a815e1dd77e6aac2e.png "(2R)-3-benzylsulfanyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid")
(2R)-3-benzylsulfanyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid
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CAS No:
957044-78-9
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Formula:
C21H19NO6S
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Chemical Name:
(2R)-3-benzylsulfanyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid
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Synonyms:
ZINC2158323;STL532199;AKOS030503157;MCULE-1544020153;S-benzyl-N-{[(2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-cysteine;(R)-3-(benzylthio)-2-(2-((2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid;957044-78-9
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CAS No:
(2R)-3-benzylsulfanyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid Basic Attributes
413.4 g/mol
413.09330850 g/mol
Computed Properties
Molecular Weight:413.4
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:413.09330850
Monoisotopic Mass:413.09330850
Topological Polar Surface Area:127
Heavy Atom Count:29
Complexity:618
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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