(2S,5R,6R)-6-[(4-hydroxy-3,5-diiodobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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![(2S,5R,6R)-6-[(4-hydroxy-3,5-diiodobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8c3990a2019e48ac98a5a3106556cc3f.png "(2S,5R,6R)-6-[(4-hydroxy-3,5-diiodobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
(2S,5R,6R)-6-[(4-hydroxy-3,5-diiodobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
94887-73-7
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Formula:
C15H14I2N2O5S
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Chemical Name:
(2S,5R,6R)-6-[(4-hydroxy-3,5-diiodobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Synonyms:
6-(4-hydroxy-3,5-diiodobenzamido)penicilloic acid;OHDIBP;94887-73-7;6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid;Ohdibp;DTXSID50241668;(2S,5R,6R)-6-[(4-Hydroxy-3,5-Diiodo-Benzoyl)Amino]-3,3-Dimethyl-7-Oxo- 4-Thia-1-Azabicyclo[3.2.0]Hep;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((4-hydroxy-3,5-diiodobenzoyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-
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CAS No:
(2S,5R,6R)-6-[(4-hydroxy-3,5-diiodobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
588.2 g/mol
587.87129 g/mol
DTXSID50241668
Computed Properties
Molecular Weight:588.2
XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:587.87129
Monoisotopic Mass:587.87129
Topological Polar Surface Area:132
Heavy Atom Count:25
Complexity:607
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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