4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with N-(phenylmethyl)benzenemethanamine
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![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with N-(phenylmethyl)benzenemethanamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0b92a366ee5b4a4fa822ea0ba14180ff.png "4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with N-(phenylmethyl)benzenemethanamine")
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with N-(phenylmethyl)benzenemethanamine
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CAS No:
7179-52-4
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Formula:
C16H18N2O4S.xC14H15N
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Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with N-(phenylmethyl)benzenemethanamine
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Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-,compd. with N-(phenylmethyl)benzenemethanamine;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-,compd. with dibenzylamine;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-[2S-(2α,5α,6β)]-,compd. with N-(phenylmethyl)benzenemethanamine;Benzenemethanamine,N-(phenylmethyl)-,[2S-(2α,5α,6β)]-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;Benzenemethanamine,N-(phenylmethyl)-,(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;Penicillin G dibenzylamine
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CAS No:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with N-(phenylmethyl)benzenemethanamine Basic Attributes
531.7 g/mol
531.21917772 g/mol
230-542-5
AF5F3C86Z1
DTXSID20222005
Computed Properties
Molecular Weight:531.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:531.21917772
Monoisotopic Mass:531.21917772
Topological Polar Surface Area:124
Heavy Atom Count:38
Complexity:667
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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