5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-
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![5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f82edb676fbf4f3ebb10b1dcab7b50ac.png "5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-")
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-
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CAS No:
63836-75-9
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Formula:
C22H27N3O6S
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Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-
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Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-,(2,2-dimethyl-1-oxopropoxy)methyl ester,(6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[(aminophenylacetyl)amino]-3-methyl-8-oxo-,(2,2-dimethyl-1-oxopropoxy)methyl ester,[6R-[6α,7β(R*)]]-;Cephalexin pivaloxymethyl ester
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CAS No:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)- Basic Attributes
461.53100
461.53
264-509-1
DTXSID90213288
Computed Properties
Molecular Weight:461.5
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:461.16205676
Monoisotopic Mass:461.16205676
Topological Polar Surface Area:153
Heavy Atom Count:32
Complexity:815
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[[(dimethylamino)thioxomethyl]thio]methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-, (6R,7R)- Structure
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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methoxy-8-oxo-7-[(phenoxyacetyl)amino]-, diphenylmethyl ester, 5-oxide, [5S-(5α,6β,7α)]- Structure
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What is 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-, sodium salt (1:1), (6R,7R)-
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