(2S,3R)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-methylpentanoic acid
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![(2S,3R)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/779dc2d56b4c4615b3b3627a43941536.png "(2S,3R)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-methylpentanoic acid")
(2S,3R)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-methylpentanoic acid
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CAS No:
956691-67-1
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Formula:
C26H31NO6
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Chemical Name:
(2S,3R)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-methylpentanoic acid
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Synonyms:
MLS001214640;CHEMBL1524120;HMS2881F18;ZINC2104916;AKOS030499689;MCULE-3748282083;SMR000543644;(2S,3R)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-methylpentanoic acid;956691-67-1
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CAS No:
(2S,3R)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-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:822
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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