5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo-
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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo-
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CAS No:
38429-35-5
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Formula:
C16H22N4O9S
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Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo-
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Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo-;A16886β
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CAS No:
Description
ChEBI: One of three naturally occurring cephamycin antibiotics, differing from the A and B forms in its carbamoyloxymethyl substituent at C-3.
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo- Basic Attributes
446.4
446.43
179170
Computed Properties
Molecular Weight:446.4
XLogP3:-4.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:11
Exact Mass:446.11074947
Monoisotopic Mass:446.11074947
Topological Polar Surface Area:237
Heavy Atom Count:30
Complexity:802
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo-
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