(5R,6S)-3-(2-acetamidoethylsulfinyl)-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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![(5R,6S)-3-(2-acetamidoethylsulfinyl)-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/aab3a3c4b2904b48ae3140d338681560.png "(5R,6S)-3-(2-acetamidoethylsulfinyl)-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid")
(5R,6S)-3-(2-acetamidoethylsulfinyl)-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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CAS No:
87695-64-5
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Formula:
C14H20N2O6S
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Chemical Name:
(5R,6S)-3-(2-acetamidoethylsulfinyl)-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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Synonyms:
3-(2-acetamidoethylsulfinyl)-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid;carpetimycin C;Carpetimycin C;DTXSID201007754;87695-64-5;3-{2-[(1-Hydroxyethylidene)amino]ethanesulfinyl}-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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CAS No:
(5R,6S)-3-(2-acetamidoethylsulfinyl)-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Basic Attributes
344.39 g/mol
344.10420754 g/mol
Drug Information
3-(2-acetamidoethylsulfinyl)-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
Computed Properties
Molecular Weight:344.39
XLogP3:-1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:344.10420754
Monoisotopic Mass:344.10420754
Topological Polar Surface Area:143
Heavy Atom Count:23
Complexity:627
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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