(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoic acid
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![(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b2beadeef34449b3a7f076bf6fe74936.png "(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoic acid")
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoic acid
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CAS No:
956043-97-3
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Formula:
C22H23N3O5S
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Chemical Name:
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoic acid
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Synonyms:
ZINC8995309;STL562894;AKOS032430433;AKOS037622984;MCULE-4444988915;(S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-4-(methylthio)butanamido)-3-phenylpropanoic acid;956043-97-3;N-[(2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-4-(methylsulfanyl)butanoyl]-L-phenylalanine
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CAS No:
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoic acid Basic Attributes
441.5 g/mol
441.13584202 g/mol
Computed Properties
Molecular Weight:441.5
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:441.13584202
Monoisotopic Mass:441.13584202
Topological Polar Surface Area:141
Heavy Atom Count:31
Complexity:682
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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