(2S,3R)-2-[[2-[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]-3-methylpentanoic acid
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(2S,3R)-2-[[2-[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]-3-methylpentanoic acid
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CAS No:
956048-20-7
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Formula:
C28H36N2O7
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Chemical Name:
(2S,3R)-2-[[2-[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]-3-methylpentanoic acid
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Synonyms:
ZINC2125058;AKOS032428144;MCULE-9741537079;(2S,3R)-2-(2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)acetamido)-3-methylpentanoic acid;956048-20-7
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CAS No:
(2S,3R)-2-[[2-[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]-3-methylpentanoic acid Basic Attributes
512.6 g/mol
512.25225149 g/mol
Computed Properties
Molecular Weight:512.6
XLogP3:4.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:512.25225149
Monoisotopic Mass:512.25225149
Topological Polar Surface Area:135
Heavy Atom Count:37
Complexity:937
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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