(2S)-4-methylsulfanyl-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]butanoic acid
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![(2S)-4-methylsulfanyl-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7ed0de49700b4fb78ddb7a4d2cf56f9d.png "(2S)-4-methylsulfanyl-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]butanoic acid")
(2S)-4-methylsulfanyl-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]butanoic acid
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CAS No:
956624-36-5
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Formula:
C19H21NO6S
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Chemical Name:
(2S)-4-methylsulfanyl-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]butanoic acid
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Synonyms:
N-{[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}-L-methionine;HMS3468F17;ZINC2096343;STL460867;AKOS004937387;MCULE-1955922254;(S)-4-(methylthio)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)butanoic acid;956624-36-5
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CAS No:
(2S)-4-methylsulfanyl-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]butanoic acid Basic Attributes
391.4 g/mol
391.10895856 g/mol
Computed Properties
Molecular Weight:391.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:391.10895856
Monoisotopic Mass:391.10895856
Topological Polar Surface Area:127
Heavy Atom Count:27
Complexity:634
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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