COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484048
Chemical Name: 2-amino-3-{[(5Z)-6-carboxy-6-{[(2,2-dimethylcyclopropyl)carbonyl]amino}hex-5-en-1-yl]sulfanyl}propanoate
Smiles: [O-]C(=O)C(CSCCCC/C=C(/C(=O)O)\NC(=O)C1CC1(C)C)N

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Saltdata: NH4+
Molecular Weight: 357.45
Empirical Formula: C16H25N2O5S

Available Amount: 0 mg

Lipinsky:
logP: 2.415
Rotatable bonds: 10
H-donors: 4
H-acceptors: 5
PSA: 157
Number of rings: 1

     

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