(2R)-3-benzylsulfanyl-2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]propanoic acid
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![(2R)-3-benzylsulfanyl-2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8228d854d2f0448da566ccd540671d29.png "(2R)-3-benzylsulfanyl-2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]propanoic acid")
(2R)-3-benzylsulfanyl-2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]propanoic acid
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CAS No:
956048-00-3
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Formula:
C25H25NO6S
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Chemical Name:
(2R)-3-benzylsulfanyl-2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]propanoic acid
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Synonyms:
ZINC2123418;STL533961;AKOS030504115;MCULE-6226404058;(R)-3-(benzylthio)-2-(2-((7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy)acetamido)propanoic acid;956048-00-3;S-benzyl-N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}-L-cysteine
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CAS No:
(2R)-3-benzylsulfanyl-2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]propanoic acid Basic Attributes
467.5 g/mol
467.14025869 g/mol
Computed Properties
Molecular Weight:467.5
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:467.14025869
Monoisotopic Mass:467.14025869
Topological Polar Surface Area:127
Heavy Atom Count:33
Complexity:777
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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