(2R)-3-benzylsulfanyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
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![(2R)-3-benzylsulfanyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3ad8b4a771264ddcbacc041b38a4f341.png "(2R)-3-benzylsulfanyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid")
(2R)-3-benzylsulfanyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
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CAS No:
956047-54-4
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Formula:
C27H27NO6S
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Chemical Name:
(2R)-3-benzylsulfanyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
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Synonyms:
ZINC2152472;AKOS030498126;MCULE-7705827294;(R)-3-(benzylthio)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid;956047-54-4
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CAS No:
(2R)-3-benzylsulfanyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid Basic Attributes
493.6 g/mol
493.15590875 g/mol
Computed Properties
Molecular Weight:493.6
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:493.15590875
Monoisotopic Mass:493.15590875
Topological Polar Surface Area:131
Heavy Atom Count:35
Complexity:838
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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