(2R)-2-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid
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![(2R)-2-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/34b3d458d8424445a46ac4aa979ad4ee.png "(2R)-2-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid")
(2R)-2-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid
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CAS No:
956962-59-7
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Formula:
C30H29NO6S
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Chemical Name:
(2R)-2-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid
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Synonyms:
ZINC2119508;STL534257;AKOS030502903;MCULE-3513429218;S-benzyl-N-{[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}-L-cysteine;(R)-2-(2-((3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)-3-(benzylthio)propanoic acid;956962-59-7
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CAS No:
(2R)-2-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid Basic Attributes
531.6 g/mol
531.17155882 g/mol
Computed Properties
Molecular Weight:531.6
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:531.17155882
Monoisotopic Mass:531.17155882
Topological Polar Surface Area:127
Heavy Atom Count:38
Complexity:863
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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