(2S,3R)-2-[[2-(5,9-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid
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![(2S,3R)-2-[[2-(5,9-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/816a16d53ed84245bd632c4a60e12b6b.png "(2S,3R)-2-[[2-(5,9-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid")
(2S,3R)-2-[[2-(5,9-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid
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CAS No:
956962-48-4
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Formula:
C27H27NO6
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Chemical Name:
(2S,3R)-2-[[2-(5,9-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid
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Synonyms:
ZINC2099216;STL565513;AKOS030498636;MCULE-4080628351;N-[(5,9-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-isoleucine;(2S,3R)-2-(2-(5,9-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-methylpentanoic acid;956962-48-4
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CAS No:
(2S,3R)-2-[[2-(5,9-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid Basic Attributes
461.5 g/mol
461.18383758 g/mol
Computed Properties
Molecular Weight:461.5
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:461.18383758
Monoisotopic Mass:461.18383758
Topological Polar Surface Area:106
Heavy Atom Count:34
Complexity:831
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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