COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK672150
Chemical Name: N-[(benzyloxy)carbonyl]tryptophylleucylarginyl-N~6~-(tert-butoxycarbonyl)-N-[16,16-dimethyl-3,6,14-trioxo-4-(propan-2-yl)-2,15-dioxa-5,13-diazaheptadecan-7-yl]lysinamide
Smiles: COC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1)CC(C)C)CCCNC(=N)N)CCCCNC(=O)OC(C)(C)C)CCCCCNC(=O)OC(C)(C)C

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Molecular Weight: 1191.48
Empirical Formula: C60H94N12O13

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 7.273
Rotatable bonds: 37
H-donors: 13
H-acceptors: 13
PSA: 364
Number of rings: 3

     

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