COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537805
Chemical Name: 2-{[3-methyl-2-({[(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]carbonyl}amino)butanoyl]amino}propanoicacid(non-preferredname)
Smiles: CC(C(C(=O)NC(C(=O)O)C)NC(=O)[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)C

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Molecular Weight: 444.48
Empirical Formula: C20H32N2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.27
Rotatable bonds: 6
H-donors: 3
H-acceptors: 9
PSA: 141
Number of rings: 3

     

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