5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-, diphenylmethyl ester, (6R,7R)-
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![5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-, diphenylmethyl ester, (6R,7R)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a1a20274611c448a99f76e5b1ae50208.png "5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-, diphenylmethyl ester, (6R,7R)-")
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-, diphenylmethyl ester, (6R,7R)-
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CAS No:
29126-12-3
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Formula:
C29H26N2O4S
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Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-, diphenylmethyl ester, (6R,7R)-
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Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-,diphenylmethyl ester,(6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-methyl-8-oxo-7-(2-phenylacetamido)-,diphenylmethyl ester;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-methyl-8-oxo-7-[(phenylacetyl)amino]-,diphenylmethyl ester,(6R-trans)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-methyl-8-oxo-7-[(phenylacetyl)amino]-,diphenylmethyl ester,(6R,7R)-;Benzhydrol,3-methyl-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;124987-14-0
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CAS No:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-, diphenylmethyl ester, (6R,7R)- Basic Attributes
498.59274
498.59
249-456-4
Computed Properties
Molecular Weight:498.6
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:498.16132849
Monoisotopic Mass:498.16132849
Topological Polar Surface Area:101
Heavy Atom Count:36
Complexity:837
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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