(2S,3R)-3-methyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid
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![(2S,3R)-3-methyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d540c7e70d764198bf3dab1966568f12.png "(2S,3R)-3-methyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid")
(2S,3R)-3-methyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid
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CAS No:
956048-35-4
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Formula:
C29H31NO6
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Chemical Name:
(2S,3R)-3-methyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid
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Synonyms:
NPD2851;ZINC2126077;STL530523;AKOS032428356;MCULE-8849890881;N-[3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-isoleucine;(2S,3R)-3-methyl-2-(3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanamido)pentanoic acid;956048-35-4
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CAS No:
(2S,3R)-3-methyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid Basic Attributes
489.6 g/mol
489.21513771 g/mol
Computed Properties
Molecular Weight:489.6
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:489.21513771
Monoisotopic Mass:489.21513771
Topological Polar Surface Area:106
Heavy Atom Count:36
Complexity:877
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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