COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525735
Chemical Name: 2-[(1R)-1-[(tert-butoxycarbonyl)amino]-2-{4-[(2,2-dimethylpropanoyl)oxy]phenyl}ethyl]-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-7-ylN,O-bis(tert-butoxycarbonyl)-D-tyrosinate
Smiles: CCc1cc2c(cc1OC(=O)[C@@H](Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)oc(c(c2=O)c1scc(n1)C)[C@@H](Cc1ccc(cc1)OC(=O)C(C)(C)C)NC(=O)OC(C)(C)C

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Molecular Weight: 970.15
Empirical Formula: C52H63N3O13S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 11.054
Rotatable bonds: 13
H-donors: 2
H-acceptors: 13
PSA: 232
Number of rings: 5

     

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