[2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 1-oxidopyridin-1-ium-3-carboxylate
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[2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 1-oxidopyridin-1-ium-3-carboxylate
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CAS No:
731797-10-7
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Formula:
C17H16N2O5S
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Chemical Name:
[2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 1-oxidopyridin-1-ium-3-carboxylate
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Synonyms:
ZINC3295692;AKOS033631228;SR-01000048654;SR-01000048654-1;Z18554002;3-({2-oxo-2-[3-(phenylsulfanyl)propanamido]ethoxy}carbonyl)pyridin-1-ium-1-olate;731797-10-7
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CAS No:
[2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 1-oxidopyridin-1-ium-3-carboxylate Basic Attributes
360.4 g/mol
360.07799279 g/mol
Computed Properties
Molecular Weight:360.4
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:360.07799279
Monoisotopic Mass:360.07799279
Topological Polar Surface Area:123
Heavy Atom Count:25
Complexity:468
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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