(2S,5R,6R)-3,3-dimethyl-6-[(5-methyloxolane-2-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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![(2S,5R,6R)-3,3-dimethyl-6-[(5-methyloxolane-2-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5a41593cc6284803b0d1ab6a962f2160.png "(2S,5R,6R)-3,3-dimethyl-6-[(5-methyloxolane-2-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
(2S,5R,6R)-3,3-dimethyl-6-[(5-methyloxolane-2-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
47219-50-1
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Formula:
C14H20N2O5S
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Chemical Name:
(2S,5R,6R)-3,3-dimethyl-6-[(5-methyloxolane-2-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Synonyms:
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-methyl-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-;47219-50-1;BRN 5391653;DTXSID40197069
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CAS No:
(2S,5R,6R)-3,3-dimethyl-6-[(5-methyloxolane-2-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
328.39 g/mol
328.10929292 g/mol
DTXSID40197069
Computed Properties
Molecular Weight:328.39
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:328.10929292
Monoisotopic Mass:328.10929292
Topological Polar Surface Area:121
Heavy Atom Count:22
Complexity:537
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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