(2S)-4-methylsulfanyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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![(2S)-4-methylsulfanyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3b6c2fce9b444d1eafcda958458d1801.png "(2S)-4-methylsulfanyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid")
(2S)-4-methylsulfanyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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CAS No:
956050-28-5
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Formula:
C22H25NO6S
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Chemical Name:
(2S)-4-methylsulfanyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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Synonyms:
ZINC2103142;STL536803;AKOS030499279;MCULE-6291958171;N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-methionine;(S)-4-(methylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid;956050-28-5
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CAS No:
(2S)-4-methylsulfanyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid Basic Attributes
431.5 g/mol
431.14025869 g/mol
Computed Properties
Molecular Weight:431.5
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:431.14025869
Monoisotopic Mass:431.14025869
Topological Polar Surface Area:131
Heavy Atom Count:30
Complexity:722
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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