disodium;(2S,5R,6R)-6-[(5-acetamido-5-carboxylatopentanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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![disodium;(2S,5R,6R)-6-[(5-acetamido-5-carboxylatopentanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/565cfd8ccc7d46eb943f966d39eca008.png "disodium;(2S,5R,6R)-6-[(5-acetamido-5-carboxylatopentanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate")
disodium;(2S,5R,6R)-6-[(5-acetamido-5-carboxylatopentanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
structure -
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CAS No:
84713-89-3
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Formula:
C16H21N3Na2O7S
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Chemical Name:
disodium;(2S,5R,6R)-6-[(5-acetamido-5-carboxylatopentanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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Synonyms:
N-acetylisopenicillin;N-Acetylisopenicillin;84713-89-3;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((5-(acetylamino)-5-carboxy-1-oxopentyl)amino)-3,3-dimethyl-7-oxo-, disodium salt, (2S-(2alpha,5alpha,6beta(R*)))-
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CAS No:
disodium;(2S,5R,6R)-6-[(5-acetamido-5-carboxylatopentanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Basic Attributes
445.4 g/mol
445.08955975 g/mol
Computed Properties
Molecular Weight:445.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:445.08955975
Monoisotopic Mass:445.08955975
Topological Polar Surface Area:184
Heavy Atom Count:29
Complexity:670
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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