(2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylpentanoic acid
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![(2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4334543e98d94f7b873272e65515cd43.png "(2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylpentanoic acid")
(2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylpentanoic acid
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CAS No:
956664-80-5
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Formula:
C26H31NO6
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Chemical Name:
(2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylpentanoic acid
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Synonyms:
MLS001214628;CHEMBL1376168;HMS2856I17;ZINC2153576;AKOS030498371;MCULE-2652847523;SMR000543643;(S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid;956664-80-5
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CAS No:
(2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylpentanoic acid Basic Attributes
453.5 g/mol
453.21513771 g/mol
Computed Properties
Molecular Weight:453.5
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:453.21513771
Monoisotopic Mass:453.21513771
Topological Polar Surface Area:106
Heavy Atom Count:33
Complexity:820
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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