(2R)-3-benzylsulfanyl-2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]propanoic acid
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![(2R)-3-benzylsulfanyl-2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fc588898a1ad4c1a831afb027a58b556.png "(2R)-3-benzylsulfanyl-2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]propanoic acid")
(2R)-3-benzylsulfanyl-2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]propanoic acid
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CAS No:
956049-55-1
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Formula:
C25H27NO6S
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Chemical Name:
(2R)-3-benzylsulfanyl-2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]propanoic acid
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Synonyms:
ZINC2123250;STL529855;AKOS030504073;MCULE-3481365391;S-benzyl-N-{[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetyl}-L-cysteine;(R)-3-(benzylthio)-2-(2-((8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy)acetamido)propanoic acid;956049-55-1
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CAS No:
(2R)-3-benzylsulfanyl-2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]propanoic acid Basic Attributes
469.6 g/mol
469.15590875 g/mol
Computed Properties
Molecular Weight:469.6
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:469.15590875
Monoisotopic Mass:469.15590875
Topological Polar Surface Area:127
Heavy Atom Count:33
Complexity:720
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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