(2S,3R)-3-methyl-2-[[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid
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![(2S,3R)-3-methyl-2-[[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5fa51904ce7f4a56a9d54e17abf36dd2.png "(2S,3R)-3-methyl-2-[[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid")
(2S,3R)-3-methyl-2-[[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid
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CAS No:
956043-98-4
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Formula:
C28H29NO6
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Chemical Name:
(2S,3R)-3-methyl-2-[[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid
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Synonyms:
ZINC2117734;STL533119;AKOS030502585;MCULE-5074437944;N-[(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-isoleucine;(2S,3R)-3-methyl-2-(2-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)pentanoic acid;956043-98-4
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CAS No:
(2S,3R)-3-methyl-2-[[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid Basic Attributes
475.5 g/mol
475.19948764 g/mol
Computed Properties
Molecular Weight:475.5
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:475.19948764
Monoisotopic Mass:475.19948764
Topological Polar Surface Area:106
Heavy Atom Count:35
Complexity:862
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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