(2R)-2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanylpropanoic acid
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![(2R)-2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/31c5f1efe5a94fb9bb33bb4aee9d3442.png "(2R)-2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanylpropanoic acid")
(2R)-2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanylpropanoic acid
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CAS No:
956042-85-6
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Formula:
C20H21NO6S
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Chemical Name:
(2R)-2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanylpropanoic acid
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Synonyms:
ZINC2131394;EiM07-29321;AKOS032429796;MCULE-7266626638;956042-85-6
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CAS No:
(2R)-2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanylpropanoic acid Basic Attributes
403.5 g/mol
403.10895856 g/mol
Computed Properties
Molecular Weight:403.5
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:403.10895856
Monoisotopic Mass:403.10895856
Topological Polar Surface Area:131
Heavy Atom Count:28
Complexity:678
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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