4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, 4-oxide, (4S)-
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![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, 4-oxide, (4S)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bb0f0d6af55143acaffa699b93964c2e.png "4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, 4-oxide, (4S)-")
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, 4-oxide, (4S)-
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CAS No:
34104-15-9
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Formula:
C16H18N2O5S
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Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, 4-oxide, (4S)-
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Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-,4-oxide,(4S)-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2α,5α,6β)]-,4-oxide,(4β)-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-,4-oxide,stereoisomer;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-,4-oxide,(4S)-;2,2-Dimethyl-6β-phenylacetamidopenam-3α-carboxylic acid 1β-oxide;Benzylpenicillin S-sulfoxide;6β-Phenylacetamidopenicillanic acid 1β-oxide;51807-52-4
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CAS No:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, 4-oxide, (4S)- Basic Attributes
350.4 g/mol
350.39
251-828-6
Computed Properties
Molecular Weight:350.4
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:350.09364285
Monoisotopic Mass:350.09364285
Topological Polar Surface Area:123
Heavy Atom Count:24
Complexity:599
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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