COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK672148
Chemical Name: 8-(butan-2-yl)-11-(2-tert-butoxy-2-oxoethyl)-5-[3-(N'-nitrocarbamimidamido)propyl]-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oicacid(non-preferredname)
Smiles: CCC(C(C(=O)NC(C(=O)O)CC(=O)OC(C)(C)C)NC(=O)C(NC(=O)OCc1ccccc1)CCCNC(=N)N[N+](=O)[O-])C

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Molecular Weight: 637.69
Empirical Formula: C28H43N7O10

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 3.828
Rotatable bonds: 18
H-donors: 7
H-acceptors: 10
PSA: 253
Number of rings: 1

     

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