COVPDB

Ligand

Ligand Name: benzyl N-[(1S)-5-amino-1-{[(1S)-1-{[(2S)-6-amino-1-(1,3-benzoxazol-2-yl)-1-oxohexan-2-yl]carbamoyl}-3-phenylpropyl]carbamoyl}pentyl]carbamate
Ligand Type: non-polymer
Ligand ID: COVPDB532	PubChem: 44563623
Synonym(s): chembl504394 bdbm50246987 benzyl (s)-6-amino-1-((s)-1-((s)-6-amino-1-(benzo[d]oxazol-2-yl)-1-oxohexan-2-ylamino)-1-oxo-4-phenylbutan-2-ylamino)-1-oxohexan-2-ylcarbamate show 2 synonym(s)
DrugBank: -	ChEMBL: CHEMBL504394
Canonical SMILES: NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1
Standard InChI: InChI=1S/C37H46N6O6/c38-23-11-9-18-29(33(44)36-42-28-17-7-8-20-32(28)49-36)40-35(46)31(22-21-26-13-3-1-4-14-26)41-34(45)30(19-10-12-24-39)43-37(47)48-25-27-15-5-2-6-16-27/h1-8,13-17,20,29-31H,9-12,18-19,21-25,38-39H2,(H,40,46)(H,41,45)(H,43,47)/t29-,30-,31-/m0/s1
Molecular Formula: C37H46N6O6	Mol. Weight: 670.3479	logP: 4.1659
HBD: 5	HBA: 9
#Rotatable Bonds: 20	TPSA: 191.67