(2R)-3-benzylsulfanyl-2-[[2-[(6-methyl-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-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8e38b8badaf44a378c67a38da24ff5e4.png "(2R)-3-benzylsulfanyl-2-[[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid")
(2R)-3-benzylsulfanyl-2-[[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid
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CAS No:
956707-37-2
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Formula:
C25H25NO6S
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Chemical Name:
(2R)-3-benzylsulfanyl-2-[[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid
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Synonyms:
SMR000651080;MLS001141240;MLS003901541;CHEMBL1524116;HMS2267L03;ZINC2159411;STL529677;AKOS030503332;MCULE-3011091674;AB00864719-04;(R)-3-(benzylthio)-2-(2-((6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid;956707-37-2;S-benzyl-N-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}-L-cysteine
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CAS No:
(2R)-3-benzylsulfanyl-2-[[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-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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