(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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![(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3831dcdf4ed34c9088d6744d2e694b54.png "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
26552-51-2
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Formula:
C16H18N2O4S2
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Chemical Name:
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Synonyms:
phenylsulfanylmethyl-penicillin; TIFENCILLIN; Thiphencillin potassium [USAN]; thiphencillin; UNII-OCS3IA7WA0; thipencillin; Tifencillin [INN]; Thiphencillin potassium; UNII-Z4T2YRI005; 6-Phenylmercapto-acetylamino-penicillansaeure;Expand
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CAS No:
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
366.45500
366.07079941
Z4T2YRI005
DTXSID90181130
Computed Properties
Molecular Weight:366.5
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:366.07079941
Monoisotopic Mass:366.07079941
Topological Polar Surface Area:137
Heavy Atom Count:24
Complexity:548
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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