4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, (4-nitrophenyl)methyl ester, 4-oxide, (2S,5R,6R)-
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![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, (4-nitrophenyl)methyl ester, 4-oxide, (2S,5R,6R)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/41b567f028654a4b9d71cc8a463f1f6e.png "4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, (4-nitrophenyl)methyl ester, 4-oxide, (2S,5R,6R)-")
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, (4-nitrophenyl)methyl ester, 4-oxide, (2S,5R,6R)-
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CAS No:
29707-62-8
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Formula:
C23H23N3O8S
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Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, (4-nitrophenyl)methyl ester, 4-oxide, (2S,5R,6R)-
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Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-,(4-nitrophenyl)methyl ester,4-oxide,(2S,5R,6R)-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-,p-nitrobenzyl ester,4-oxide;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-,(4-nitrophenyl)methyl ester,4-oxide,[2S-(2α,5α,6β)]-;Benzyl alcohol,p-nitro-,3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (ester) S-oxide;p-Nitrobenzyl penicillin V S-oxide;Penicillin V sulfoxide p-nitrobenzyl ester;p-Nitrobenzyl 6-phenoxyacetamidopenicillanate sulfoxide;4-Nitrobenzyl 6-(phenoxyacetamido)penicillanate 1-oxide;Phenoxymethylpenicillin sulfoxide 4-nitrobenzyl ester;54820-46-1;176539-10-9
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CAS No:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, (4-nitrophenyl)methyl ester, 4-oxide, (2S,5R,6R)- Basic Attributes
501.50900
501.51
249-792-1
Computed Properties
Molecular Weight:501.5
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:501.12058587
Monoisotopic Mass:501.12058587
Topological Polar Surface Area:167
Heavy Atom Count:35
Complexity:877
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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