(2S,3R)-2-[[2-[[2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]-3-methylpentanoic acid
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![(2S,3R)-2-[[2-[[2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]-3-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b8149a674e8e4d958ef2ea78f70b9e54.png "(2S,3R)-2-[[2-[[2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]-3-methylpentanoic acid")
(2S,3R)-2-[[2-[[2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]-3-methylpentanoic acid
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CAS No:
956043-86-0
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Formula:
C22H28N2O7
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Chemical Name:
(2S,3R)-2-[[2-[[2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]-3-methylpentanoic acid
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Synonyms:
ZINC2116862;STL530481;AKOS030502385;MCULE-7766339386;N-[(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]glycyl-L-isoleucine;956043-86-0
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CAS No:
(2S,3R)-2-[[2-[[2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]-3-methylpentanoic acid Basic Attributes
432.5 g/mol
432.18965124 g/mol
Computed Properties
Molecular Weight:432.5
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:432.18965124
Monoisotopic Mass:432.18965124
Topological Polar Surface Area:131
Heavy Atom Count:31
Complexity:748
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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