(2S,3R)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid
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![(2S,3R)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/060ca336084f4c6d8d2166c4cf4b024f.png "(2S,3R)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid")
(2S,3R)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid
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CAS No:
956041-10-4
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Formula:
C25H31NO6
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Chemical Name:
(2S,3R)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid
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Synonyms:
ZINC2122494;STL530738;AKOS030503888;MCULE-6320607109;N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-isoleucine;(2S,3R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-methylpentanoic acid;956041-10-4
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CAS No:
(2S,3R)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid Basic Attributes
441.5 g/mol
441.21513771 g/mol
Computed Properties
Molecular Weight:441.5
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:441.21513771
Monoisotopic Mass:441.21513771
Topological Polar Surface Area:106
Heavy Atom Count:32
Complexity:797
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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