rel-(6R,7S)-3-[(Acetyloxy)methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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![rel-(6R,7S)-3-[(Acetyloxy)methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/24c9ca4491be4bbe9471c2b193ec223b.png "rel-(6R,7S)-3-[(Acetyloxy)methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid")
rel-(6R,7S)-3-[(Acetyloxy)methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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CAS No:
52128-53-7
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Formula:
C17H18N2O7S2
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Chemical Name:
rel-(6R,7S)-3-[(Acetyloxy)methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-,(6R,7S)-rel-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-,cis-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-,cis-(±)-;rel-(6R,7S)-3-[(Acetyloxy)methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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CAS No:
rel-(6R,7S)-3-[(Acetyloxy)methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Basic Attributes
426.5 g/mol
426.46
257-678-8
Computed Properties
Molecular Weight:426.5
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:426.05554326
Monoisotopic Mass:426.05554326
Topological Polar Surface Area:176
Heavy Atom Count:28
Complexity:741
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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