(2R)-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid
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![(2R)-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/781698533a8743c99b4e1ab51fabfd78.png "(2R)-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid")
(2R)-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid
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CAS No:
956048-94-5
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Formula:
C29H27NO6S
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Chemical Name:
(2R)-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid
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Synonyms:
CHEMBL4645323;ZINC2158408;BDBM50540215;STL531417;AKOS030503170;MCULE-5158020264;S-benzyl-N-{[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-cysteine;(R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid;956048-94-5
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CAS No:
(2R)-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid Basic Attributes
517.6 g/mol
517.15590875 g/mol
Computed Properties
Molecular Weight:517.6
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:517.15590875
Monoisotopic Mass:517.15590875
Topological Polar Surface Area:127
Heavy Atom Count:37
Complexity:832
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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