COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK039706
Chemical Name: (2S)-4-amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide
Smiles: NCCC(C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O

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Saltdata: H2SO4
Molecular Weight: 585.61
Empirical Formula: C22H43N5O13

Physical State: Dry powder
Available Amount: 3006 mg

Lipinsky:
logP: -3.343
Rotatable bonds: 4
H-donors: 17
H-acceptors: 13
PSA: 331
Number of rings: 3

     

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