(2S)-3-methyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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![(2S)-3-methyl-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/20220811/a99c993274aa4cef86b61ba39592847c.png "(2S)-3-methyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid")
(2S)-3-methyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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CAS No:
956043-46-2
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Formula:
C22H25NO6
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Chemical Name:
(2S)-3-methyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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Synonyms:
MLS001213298;CHEMBL1872418;ZINC2096998;AKOS030498270;MCULE-4040464328;SMR000542823;(S)-3-methyl-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid;956043-46-2
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CAS No:
(2S)-3-methyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid Basic Attributes
399.4 g/mol
399.16818752 g/mol
Computed Properties
Molecular Weight:399.4
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:399.16818752
Monoisotopic Mass:399.16818752
Topological Polar Surface Area:106
Heavy Atom Count:29
Complexity:714
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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