5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-trans)-
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![5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-trans)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/579a6233432e4b208c06af5369e010c9.png "5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-trans)-")
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-trans)-
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CAS No:
27726-32-5
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Formula:
C14H20N2O5S
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Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-trans)-
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Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-methyl-8-oxo-,(2,2-dimethyl-1-oxopropoxy)methyl ester,(6R-trans)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-methyl-8-oxo-,hydroxymethyl ester pivalate (ester);Methanediol,7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pivalate (ester);Pivalic acid,hydroxymethyl ester 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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CAS No:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-trans)- Basic Attributes
328.39 g/mol
328.38
248-623-9
Computed Properties
Molecular Weight:328.39
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:328.10929292
Monoisotopic Mass:328.10929292
Topological Polar Surface Area:124
Heavy Atom Count:22
Complexity:552
Undefined Atom Stereocenter Count:2
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, 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, 3-(bromomethyl)-8-oxo-7-[(phenylacetyl)amino]-, 1,1-dimethylethyl ester, 5-oxide, [5S-(5α,6β,7α)]- Formula
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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)]- Formula
57562-02-4
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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, [5R-(5α,6α,7β)]- Formula
57562-03-5
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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(chloromethyl)-8-oxo-, (4-methoxyphenyl)methyl ester, hydrochloride (1:1), (6R,7R)- Structure
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