(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid
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![(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/95438faf461e4d5fb9433903e1adaeb8.png "(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid")
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid
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CAS No:
956683-69-5
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Formula:
C19H25N3O5S
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Chemical Name:
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid
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Synonyms:
ZINC9059092;STL534729;AKOS032430738;AKOS037496763;MCULE-7002304353;N-[(2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-4-(methylsulfanyl)butanoyl]-L-leucine;(S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-4-(methylthio)butanamido)-4-methylpentanoic acid;956683-69-5
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CAS No:
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid Basic Attributes
407.5 g/mol
407.15149208 g/mol
Computed Properties
Molecular Weight:407.5
XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:407.15149208
Monoisotopic Mass:407.15149208
Topological Polar Surface Area:141
Heavy Atom Count:28
Complexity:612
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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