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Home  > Chemistry  > Organic Building Blocks  > Ureas  > (2S,5R,6R)-6-[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

AI53703

61477-96-1 | (2S,5R,6R)-6-[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Packsize Purity Availability Price Discounted Price    Quantity
1g 98% in stock $106.00 $75.00 -   +
5g 98% in stock $243.00 $170.00 -   +
25g 98% in stock $791.00 $554.00 -   +

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Description
Catalog Number: AI53703
Chemical Name: (2S,5R,6R)-6-[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Number: 61477-96-1
Molecular Formula: C23H27N5O7S
Molecular Weight: 517.5548
MDL Number: MFCD26142884
SMILES: CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1

 

Computed Properties
Complexity: 982  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 4  
Heavy Atom Count: 36  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 3  
Rotatable Bond Count: 6  
XLogP3: 0.5  

 

 

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