(2R)-3-benzylsulfanyl-2-[3-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
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![(2R)-3-benzylsulfanyl-2-[3-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8d531e0862124d63b5928bae432d97cb.png "(2R)-3-benzylsulfanyl-2-[3-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid")
(2R)-3-benzylsulfanyl-2-[3-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
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CAS No:
956049-43-7
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Formula:
C32H29NO6S
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Chemical Name:
(2R)-3-benzylsulfanyl-2-[3-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
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Synonyms:
ZINC2117808;AKOS030502594;MCULE-3995401342;(R)-3-(benzylthio)-2-(3-(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid;956049-43-7
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CAS No:
(2R)-3-benzylsulfanyl-2-[3-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid Basic Attributes
555.6 g/mol
555.17155882 g/mol
Computed Properties
Molecular Weight:555.6
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:555.17155882
Monoisotopic Mass:555.17155882
Topological Polar Surface Area:131
Heavy Atom Count:40
Complexity:955
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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