5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[[(dimethylamino)thioxomethyl]thio]methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-, (6R,7R)-
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![5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[[(dimethylamino)thioxomethyl]thio]methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-, (6R,7R)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/82e1a49e6b2e422d83bbd98287442412.png "5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[[(dimethylamino)thioxomethyl]thio]methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-, (6R,7R)-")
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[[(dimethylamino)thioxomethyl]thio]methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-, (6R,7R)-
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CAS No:
987-69-9
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Formula:
C20H23N3O4S4
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Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[[(dimethylamino)thioxomethyl]thio]methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-, (6R,7R)-
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Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[[[(dimethylamino)thioxomethyl]thio]methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-,(6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[2-(benzylthio)acetamido]-3-(mercaptomethyl)-8-oxo-,dimethyldithiocarbamate (ester);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[[[(dimethylamino)thioxomethyl]thio]methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-,(6R-trans)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[2-(benzylthio)acetamido]-3-(mercaptomethyl)-8-oxo-,dimethyldithiocarbamate;Carbamic acid,dimethyldithio-,7-[2-(benzylthio)acetamido]-3-(mercaptomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (ester);Carbamic acid,dimethyldithio-,ester with 7-[2-(benzylthio)acetamido]-3-(mercaptomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;Cephalosporin 7/30
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CAS No:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[[(dimethylamino)thioxomethyl]thio]methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-, (6R,7R)- Basic Attributes
497.7 g/mol
497.67
Computed Properties
Molecular Weight:497.7
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:497.05714092
Monoisotopic Mass:497.05714092
Topological Polar Surface Area:198
Heavy Atom Count:31
Complexity:768
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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