COVPDB

Ligand

Ligand Name: AC-(D)PHE-PRO-BOROLYS-OH
Ligand Type: non-polymer
Ligand ID: COVPDB697	PubChem: 5288064
Synonym(s): chembl100109 bdbm50288414 db07658 q27096878 n-acetyl-d-phenylalanyl-n-[(1r)-5-amino-1-(dihydroxyboranyl)pentyl]-l-prolinamide 1-(2-acetylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (5-amino-1-dihydroxyboranyl-pentyl)-amide show 5 synonym(s)
DrugBank: DB07658	ChEMBL: CHEMBL100109
Canonical SMILES: CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O
Standard InChI: InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1
Molecular Formula: C21H33BN4O5	Mol. Weight: 432.2544	logP: -0.6494
HBD: 5	HBA: 6
#Rotatable Bonds: 11	TPSA: 144.99