(2S)-2-[[2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetyl]amino]-4-methylsulfanylbutanoic acid
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![(2S)-2-[[2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetyl]amino]-4-methylsulfanylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bb2cc57d05a44699b1f9f924ed8a91fe.png "(2S)-2-[[2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetyl]amino]-4-methylsulfanylbutanoic acid")
(2S)-2-[[2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetyl]amino]-4-methylsulfanylbutanoic acid
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CAS No:
956777-68-7
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Formula:
C21H25NO6S
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Chemical Name:
(2S)-2-[[2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetyl]amino]-4-methylsulfanylbutanoic acid
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Synonyms:
ZINC2099608;EiM07-17266;STL460976;AKOS016391556;MCULE-3797175320;N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]acetyl}-L-methionine;(2S)-2-({2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]acetyl}amino)-4-(methylsulfanyl)butanoic acid;956777-68-7
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CAS No:
(2S)-2-[[2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetyl]amino]-4-methylsulfanylbutanoic acid Basic Attributes
419.5 g/mol
419.14025869 g/mol
Computed Properties
Molecular Weight:419.5
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:419.14025869
Monoisotopic Mass:419.14025869
Topological Polar Surface Area:127
Heavy Atom Count:29
Complexity:678
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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