(3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
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![(3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/51ca0d8d0f294c6eb0530d9e60c5136a.png "(3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid")
(3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
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CAS No:
160138-41-0
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Formula:
C24H35N5O8S
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Chemical Name:
(3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
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Synonyms:
FR 158999;FR-158999;FR158999;FR 158999;FR-158999;160138-41-0;CHEMBL148437;DTXSID70166804;Butanoic acid, 3-((4-(4-(aminoiminomethyl)phenoxy)-1-oxobutyl)amino)-4-(((1S)-1-((1,1-dioxido-4-thiomorpholinyl)carbonyl)-2-methylpropyl)amino)-4-oxo-, (3S)-;Butanoic acid, 3-((4-(4-(aminoiminomethyl)phenoxy)-1-oxobutyl)amino)-4-((2-methyl-1-(4-thiomorpholinylcarbonyl)propyl)amino)-4-oxo-, S,S-dioxide, (S-(R*,R*))-
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CAS No:
(3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Basic Attributes
553.6 g/mol
553.22063427 g/mol
DTXSID70166804
Computed Properties
Molecular Weight:553.6
XLogP3:-0.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:553.22063427
Monoisotopic Mass:553.22063427
Topological Polar Surface Area:217
Heavy Atom Count:38
Complexity:959
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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