COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525269
Chemical Name: 4-[({[(2S)-2-{[2-amino-3-(4-hydroxyphenyl)propanoyl]amino}propanoyl]amino}acetyl)amino]-5-(benzyloxy)-5-oxopentanoicacid(non-preferredname)
Smiles: O=C(NC(C(=O)OCc1ccccc1)CCC(=O)O)CNC(=O)[C@@H](NC(=O)C(Cc1ccc(cc1)O)N)C

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Saltdata: HCl
Molecular Weight: 528.56
Empirical Formula: C26H32N4O8

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 0.978
Rotatable bonds: 14
H-donors: 7
H-acceptors: 8
PSA: 197
Number of rings: 2

     

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