4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isothiazolyl)carbonyl]amino]-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]-
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![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isothiazolyl)carbonyl]amino]-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a40c7f236a204f96a9333be134da0a7c.png "4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isothiazolyl)carbonyl]amino]-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]-")
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isothiazolyl)carbonyl]amino]-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]-
structure -
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CAS No:
16216-98-1
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Formula:
C19H19N3O4S2.Na
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Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isothiazolyl)carbonyl]amino]-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]-
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Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isothiazolyl)carbonyl]amino]-7-oxo-,monosodium salt,[2S-(2α,5α,6β)]-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-6-(5-methyl-3-phenyl-4-isothiazolecarboxamido)-7-oxo-,monosodium salt;Sodium 6-(5-methyl-3-phenyl-isothiazole-4-carboxamido)penicillinate
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CAS No:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isothiazolyl)carbonyl]amino]-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]- Basic Attributes
439.48400
439.06364269
DTXSID90635380
Computed Properties
Molecular Weight:439.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:439.06364269
Monoisotopic Mass:439.06364269
Topological Polar Surface Area:156
Heavy Atom Count:29
Complexity:688
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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