COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565395
Chemical Name: (2R)-2-[({6-[(6-{[(1R)-1-carboxy-2-methylbutyl]carbamoyl}-2-{[(6aR,6bS,8aS,11S,14bS)-11-{[(1S)-1-carboxy-2-methylbutyl]carbamoyl}-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,1
Smiles: CCC([C@H](C(=O)O)NC(=O)C1OC(OC2CC[C@]3(C(C2(C)C)CC[C@@]2(C3C(=O)C=C3[C@@]2(C)CC[C@@]2(C3C[C@](C)(CC2)C(=O)N[C@@H](C(CC)C)C(=O)O)C)C)C)C(C(C1O)O)OC1OC(C(=O)N[C@H](C(CC)C)C(=O)O)C(C(C1O)O)O)C

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Molecular Weight: 1162.42
Empirical Formula: C60H95N3O19

Available Amount: 0 mg

Lipinsky:
logP: 10.169
Rotatable bonds: 23
H-donors: 11
H-acceptors: 19
PSA: 354
Number of rings: 7

     

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