(2S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
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![(2S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6e52e0954e024f8793a0a796acf0c09f.png "(2S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol")
(2S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
structure -
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CAS No:
3841-12-1
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Formula:
C48H56N6O10S2
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Chemical Name:
(2S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
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Synonyms:
Oxybicillin;3841-12-1;DTXSID20191747;Penicillin G, compd. with alpha,alpha'-(ethylenediimino)di-o-cresol;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenylacetamido)-, compd. with alpha,alpha'-(ethylenediimino)di-o-cresol
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CAS No:
(2S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol Basic Attributes
941.1 g/mol
940.34993435 g/mol
DTXSID20191747
Computed Properties
Molecular Weight:941.1
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:15
Exact Mass:940.34993435
Monoisotopic Mass:940.34993435
Topological Polar Surface Area:289
Heavy Atom Count:66
Complexity:767
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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