(2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-methylbutanoic 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]-3-methylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0b48fd6764764f69bc085015eeaeb062.png "(2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-methylbutanoic acid")
(2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-methylbutanoic acid
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CAS No:
956691-38-6
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Formula:
C25H29NO6
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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]-3-methylbutanoic acid
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Synonyms:
ZINC2107413;AKOS030499952;MCULE-2515089218;(S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-methylbutanoic acid;956691-38-6
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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]-3-methylbutanoic acid Basic Attributes
439.5 g/mol
439.19948764 g/mol
Computed Properties
Molecular Weight:439.5
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:439.19948764
Monoisotopic Mass:439.19948764
Topological Polar Surface Area:106
Heavy Atom Count:32
Complexity:804
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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