(2S)-2-[[2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetyl]amino]-3-methylbutanoic acid
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![(2S)-2-[[2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetyl]amino]-3-methylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3413b000394441c48bb0441d6dba070c.png "(2S)-2-[[2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetyl]amino]-3-methylbutanoic acid")
(2S)-2-[[2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetyl]amino]-3-methylbutanoic acid
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CAS No:
956046-08-5
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Formula:
C21H26N2O7
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Chemical Name:
(2S)-2-[[2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetyl]amino]-3-methylbutanoic acid
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Synonyms:
ZINC2130933;STL532778;AKOS032429639;MCULE-8421552604;N-[3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]glycyl-L-valine;956046-08-5
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CAS No:
(2S)-2-[[2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetyl]amino]-3-methylbutanoic acid Basic Attributes
418.4 g/mol
418.17400117 g/mol
Computed Properties
Molecular Weight:418.4
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:418.17400117
Monoisotopic Mass:418.17400117
Topological Polar Surface Area:131
Heavy Atom Count:30
Complexity:716
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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