sodium;(6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[[5-(carboxylatomethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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sodium;(6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[[5-(carboxylatomethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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CAS No:
80730-81-0
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Formula:
C24H20N5NaO5S4
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Chemical Name:
sodium;(6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[[5-(carboxylatomethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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Synonyms:
L 642946;L-642946;L 642946;80730-81-0;sodium (6R,7R)-7-((1-benzylpyridin-1-ium-4-yl)amino)-3-(((5-((carboxylatomethyl)thio)-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;CHEMBL344718;DTXSID801001447;L-642946;Pyridinium, 4-((2-carboxy-3-(((5-((carboxymethyl)thio)-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-1-(phenylmethyl)-, hydroxide, inner salt, monosodium salt, (6R-trans)-;Sodium 7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[({5-[(carboxylatomethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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CAS No:
sodium;(6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[[5-(carboxylatomethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Basic Attributes
609.7 g/mol
609.02449773 g/mol
Computed Properties
Molecular Weight:609.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:609.02449773
Monoisotopic Mass:609.02449773
Topological Polar Surface Area:246
Heavy Atom Count:39
Complexity:917
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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