(2S)-3-methyl-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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![(2S)-3-methyl-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7be1e253cdc946519829e1dec9fa6aab.png "(2S)-3-methyl-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid")
(2S)-3-methyl-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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CAS No:
956050-31-0
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Formula:
C23H27NO6
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Chemical Name:
(2S)-3-methyl-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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Synonyms:
ZINC2108106;AKOS030500069;MCULE-3472704893;(S)-3-methyl-2-(3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid;956050-31-0
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CAS No:
(2S)-3-methyl-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid Basic Attributes
413.5 g/mol
413.18383758 g/mol
Computed Properties
Molecular Weight:413.5
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:413.18383758
Monoisotopic Mass:413.18383758
Topological Polar Surface Area:106
Heavy Atom Count:30
Complexity:744
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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