(2S,5R,6R)-6-[(2-amino-2-methylpropanoyl)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-[(2-amino-2-methylpropanoyl)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/20220811/ad3b5f1aaf904388bb95b23568c6710b.png "(2S,5R,6R)-6-[(2-amino-2-methylpropanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
(2S,5R,6R)-6-[(2-amino-2-methylpropanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
38402-49-2
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Formula:
C12H19N3O4S
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Chemical Name:
(2S,5R,6R)-6-[(2-amino-2-methylpropanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Synonyms:
NSC86714;38402-49-2;NSC-86714;NSC 86714;6-(2-Amino-2-methylpropionamido)penicillanic acid;CHEMBL1995858;ZINC4900541;Wy-13687;NCI60_041920;A827567;(2S,5R,6R)-6-[(2-amino-2-methyl-1-oxopropyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[(2-azanyl-2-methyl-propanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
(2S,5R,6R)-6-[(2-amino-2-methylpropanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
301.36 g/mol
301.10962727 g/mol
86714
Computed Properties
Molecular Weight:301.36
XLogP3:-2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:301.10962727
Monoisotopic Mass:301.10962727
Topological Polar Surface Area:138
Heavy Atom Count:20
Complexity:491
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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