(5R,6R)-3-[[(1E)-2-(Acetylamino)ethenyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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![(5R,6R)-3-[[(1E)-2-(Acetylamino)ethenyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/17717626aaf342e7be7f589e98a6ec39.png "(5R,6R)-3-[[(1E)-2-(Acetylamino)ethenyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid")
(5R,6R)-3-[[(1E)-2-(Acetylamino)ethenyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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CAS No:
65376-20-7
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Formula:
C13H16N2O5S
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Chemical Name:
(5R,6R)-3-[[(1E)-2-(Acetylamino)ethenyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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Synonyms:
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,3-[[(1E)-2-(acetylamino)ethenyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-,(5R,6R)-;1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,3-[[2-(acetylamino)ethenyl]thio]-6-(1-hydroxyethyl)-7-oxo-,[5R-[3(E),5α,6β(S*)]]-;(5R,6R)-3-[[(1E)-2-(Acetylamino)ethenyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;Antibiotic 890A2;Antibiotic MM 22382;Antibiotic 17927A2;MM 22382;Epithienamycin B;68399-25-7;68444-67-7
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CAS No:
(5R,6R)-3-[[(1E)-2-(Acetylamino)ethenyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Basic Attributes
312.34154
312.34
Computed Properties
Molecular Weight:312.34
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:312.07799279
Monoisotopic Mass:312.07799279
Topological Polar Surface Area:132
Heavy Atom Count:21
Complexity:557
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(5R,6R)-3-[[(1E)-2-(Acetylamino)ethenyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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