COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564323
Chemical Name: N-[(2R)-4-amino-1-{[(2R)-1-{[(2R)-4-amino-1-oxo-1-{[(3R,6R,9R,12R,15S,18R,21R)-6,9,18-tris(2-aminoethyl)-3,12-bis(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-hepta
Smiles: NCC[C@H](C(=O)N[C@@H]1CCNC(=O)[C@H](NC(=O)[C@@H](CCN)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCN)CC(C)C)C(O)C)CCN)C(O)C)NC(=O)[C@@H](C(O)C)NC(=O)[C@H](NC(=O)CCCCC(CC)C)CCN

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Molecular Weight: 1157.42
Empirical Formula: C51H96N16O14

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: -5.268
Rotatable bonds: 28
H-donors: 24
H-acceptors: 14
PSA: 510
Number of rings: 1

     

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