(2S)-4-methylsulfanyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]butanoic acid
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![(2S)-4-methylsulfanyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bcf5d5a36f1a4fee995d578cc6a6fda2.png "(2S)-4-methylsulfanyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]butanoic acid")
(2S)-4-methylsulfanyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]butanoic acid
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CAS No:
554433-72-6
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Formula:
C20H23NO6S
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Chemical Name:
(2S)-4-methylsulfanyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]butanoic acid
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Synonyms:
N-{[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-methionine;ZINC2099568;STL460930;AKOS004937579;MCULE-4914741365;N-[2-[(7,8,9,10-tetrahydro-6-oxo-6h-dibenzo[b,d]pyran-3-yl)oxy]acetyl]methionine;(S)-4-(methylthio)-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)butanoic acid;554433-72-6
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CAS No:
(2S)-4-methylsulfanyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]butanoic acid Basic Attributes
405.5 g/mol
405.12460863 g/mol
Computed Properties
Molecular Weight:405.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:405.12460863
Monoisotopic Mass:405.12460863
Topological Polar Surface Area:127
Heavy Atom Count:28
Complexity:649
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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