(2R)-3-benzylsulfanyl-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid
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![(2R)-3-benzylsulfanyl-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ef4ea5d3192440a38694c5137975c7e3.png "(2R)-3-benzylsulfanyl-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid")
(2R)-3-benzylsulfanyl-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid
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CAS No:
956041-18-2
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Formula:
C24H23NO6S
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Chemical Name:
(2R)-3-benzylsulfanyl-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid
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Synonyms:
MLS001141239;CHEMBL1358563;HMS2269B12;ZINC2120769;STL531846;AKOS030503590;MCULE-4033189656;SMR000651079;AB00864424-06;S-benzyl-N-{[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}-L-cysteine;(R)-3-(benzylthio)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid;956041-18-2
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CAS No:
(2R)-3-benzylsulfanyl-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid Basic Attributes
453.5 g/mol
453.12460863 g/mol
Computed Properties
Molecular Weight:453.5
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:453.12460863
Monoisotopic Mass:453.12460863
Topological Polar Surface Area:127
Heavy Atom Count:32
Complexity:747
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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