3-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid
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![3-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2f1d6f33665845d99f9816daee5d6866.png "3-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid")
3-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid
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CAS No:
858764-79-1
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Formula:
C23H25NO6
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Chemical Name:
3-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid
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Synonyms:
MLS001214668;SMR000543567;CHEMBL1509410;BDBM94040;cid_1757603;HMS2882C12;ZINC2102215;EiM07-20356;STL462755;AKOS016379050;MCULE-2916393319;3-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid;3-[[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydrobenzofuro[3,2-g][1]benzopyran-3-yl)-1-oxopropyl]amino]propanoic acid;3-[3-(2-keto-4,11-dimethyl-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen-3-yl)propanoylamino]propionic acid;3-[3-(4,11-dimethyl-2-oxidanylidene-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid;858764-79-1;N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-beta-alanine
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CAS No:
3-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid Basic Attributes
411.4 g/mol
411.16818752 g/mol
Computed Properties
Molecular Weight:411.4
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:411.16818752
Monoisotopic Mass:411.16818752
Topological Polar Surface Area:106
Heavy Atom Count:30
Complexity:746
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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