2-oxopropyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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2-oxopropyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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CAS No:
75027-15-5
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Formula:
C18H27N3O4S
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Chemical Name:
2-oxopropyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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Synonyms:
Amdinocillin methylacetate;75027-15-5;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-, 2-oxopropyl ester, (2S-(2alpha,5alpha,6beta))-;Mecillinam acetylmethyl ester
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CAS No:
2-oxopropyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Basic Attributes
381.5 g/mol
381.17222752 g/mol
Computed Properties
Molecular Weight:381.5
XLogP3:1.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:381.17222752
Monoisotopic Mass:381.17222752
Topological Polar Surface Area:105
Heavy Atom Count:26
Complexity:614
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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