COVPDB

Ligand

Ligand Name: (4-bromophenyl)methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]carbamate
Ligand Type: non-polymer
Ligand ID: COVPDB1121	PubChem: 5288867
Synonym(s): n2-({[(4-bromophenyl)methyl]oxy}carbonyl)-n1-[(1s)-1-formylpentyl]-l-leucinamide schembl4314173 db04234 q27095057 n~2~-{[(4-bromobenzyl)oxy]carbonyl}-n-[(1s)-1-formylpentyl]-l-leucinamide show 4 synonym(s)
DrugBank: DB04234	ChEMBL: CHEMBL1234554
Canonical SMILES: CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(Br)cc1
Standard InChI: InChI=1S/C20H29BrN2O4/c1-4-5-6-17(12-24)22-19(25)18(11-14(2)3)23-20(26)27-13-15-7-9-16(21)10-8-15/h7-10,12,14,17-18H,4-6,11,13H2,1-3H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1
Molecular Formula: C20H29BrN2O4	Mol. Weight: 440.13107	logP: 3.9639
HBD: 2	HBA: 4
#Rotatable Bonds: 11	TPSA: 84.5