4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with (αR)-α-[(1S)-1-(methylamino)ethyl]benzenemethanol (1:1)
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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 (αR)-α-[(1S)-1-(methylamino)ethyl]benzenemethanol (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cfecb1dc5d8141cf818499c5cbe8d308.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 (αR)-α-[(1S)-1-(methylamino)ethyl]benzenemethanol (1:1)")
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with (αR)-α-[(1S)-1-(methylamino)ethyl]benzenemethanol (1:1)
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CAS No:
7177-45-9
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Formula:
C16H18N2O4S.C10H15NO
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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 (αR)-α-[(1S)-1-(methylamino)ethyl]benzenemethanol (1:1)
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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 (αR)-α-[(1S)-1-(methylamino)ethyl]benzenemethanol (1:1);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-,compd. with ephedrine (1:1);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 [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1);Ephedrine,compd. with penicillin G (1:1);Benzenemethanol,α-[1-(methylamino)ethyl]-,[R-(R*,S*)]-,[2S-(2α,5α,6β)]-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (salt);Benzenemethanol,α-[(1S)-1-(methylamino)ethyl]-,(αR)-,(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (salt);Ephedrine penicillin;Penicillin G ephedrine salt;7223-05-4;8025-89-6
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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 (αR)-α-[(1S)-1-(methylamino)ethyl]benzenemethanol (1:1) Basic Attributes
499.6 g/mol
499.21409234 g/mol
230-538-3
Computed Properties
Molecular Weight:499.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:499.21409234
Monoisotopic Mass:499.21409234
Topological Polar Surface Area:144
Heavy Atom Count:35
Complexity:651
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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