3-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]propanoic acid
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3-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]propanoic acid
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CAS No:
1173668-99-9
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Formula:
C16H19N3O5S
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Chemical Name:
3-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]propanoic acid
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Synonyms:
ZINC8971910;STL534487;AKOS032430336;AKOS037496696;MCULE-5919909741;N-[(2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-4-(methylsulfanyl)butanoyl]-beta-alanine;(S)-3-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-4-(methylthio)butanamido)propanoic acid;1173668-99-9
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CAS No:
3-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]propanoic acid Basic Attributes
365.4 g/mol
365.10454189 g/mol
Computed Properties
Molecular Weight:365.4
XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:365.10454189
Monoisotopic Mass:365.10454189
Topological Polar Surface Area:141
Heavy Atom Count:25
Complexity:542
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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