(2R)-3-benzylsulfanyl-2-[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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![(2R)-3-benzylsulfanyl-2-[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/20220812/55ddb82ac96a4affb6c6dd1dae265de3.png "(2R)-3-benzylsulfanyl-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid")
(2R)-3-benzylsulfanyl-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid
structure -
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CAS No:
956624-27-4
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Formula:
C30H31NO6S
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Chemical Name:
(2R)-3-benzylsulfanyl-2-[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:
ZINC2098854;EiM07-29173;AKOS030498587;MCULE-5441156770;956624-27-4
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CAS No:
(2R)-3-benzylsulfanyl-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid Basic Attributes
533.6 g/mol
533.18720888 g/mol
Computed Properties
Molecular Weight:533.6
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:533.18720888
Monoisotopic Mass:533.18720888
Topological Polar Surface Area:131
Heavy Atom Count:38
Complexity:930
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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