COVPDB

Ligand

Ligand Name: CA077
Ligand Type: non-polymer
Ligand ID: COVPDB346	PubChem: 23647362
Synonym(s): benzyl n-({(2s,3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate benzyl n-{[(2s,3s)-3-(benzylcarbamoyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-prolinate ca inhibitor 8 epoxysuccinyl derivative 8 bzlnh-tes-ile-pro-obzl bdbm16505 q27456674 benzyl (2s)-1-[(2s,3s)-2-{[(2s,3s)-3-(benzylcarbamoyl)oxiran-2-yl]formamido}-3-methylpentanoyl]pyrrolidine-2-carboxylate ca077; n-(l-3-trans-benzylcarbamoyloxirane-2-carbonyl)-l-isoleucyl-l-proline benzyl ester show 8 synonym(s)
DrugBank: -	ChEMBL: CHEMBL1230550
Canonical SMILES: c1ccccc1CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H]([C@@H](C)CC)C(=O)N3CCC[C@H]3C(=O)OCc4ccccc4
Standard InChI: InChI=1S/C29H35N3O6/c1-3-19(2)23(31-27(34)25-24(38-25)26(33)30-17-20-11-6-4-7-12-20)28(35)32-16-10-15-22(32)29(36)37-18-21-13-8-5-9-14-21/h4-9,11-14,19,22-25H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-,25-/m0/s1
Molecular Formula: C29H35N3O6	Mol. Weight: 521.25256	logP: 2.3355
HBD: 2	HBA: 6
#Rotatable Bonds: 11	TPSA: 117.34