COVPDB

Ligand

Ligand Name: CA073
Ligand Type: non-polymer
Ligand ID: COVPDB343	PubChem: 22850133
Synonym(s): benzyl n-({(2s,3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate benzyl n-{[(2s,3s)-3-(propylcarbamoyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-prolinate ca inhibitor 7 epoxysuccinyl derivative 7 prnh-tes-ile-pro-obzl schembl9033334 bdbm16504 db07219 benzyl (2s)-1-[(2s,3s)-3-methyl-2-{[(2s,3s)-3-(propylcarbamoyl)oxiran-2-yl]formamido}pentanoyl]pyrrolidine-2-carboxylate q27096140 ca073; n-(l-3-trans-propylcarbamoyloxirane-2-carbonyl)-l-isoleucyl-l-proline benzyl ester show 10 synonym(s)
DrugBank: DB07219	ChEMBL: CHEMBL1230537
Canonical SMILES: CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OCc3ccccc3
Standard InChI: InChI=1S/C25H35N3O6/c1-4-13-26-22(29)20-21(34-20)23(30)27-19(16(3)5-2)24(31)28-14-9-12-18(28)25(32)33-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-21H,4-5,9,12-15H2,1-3H3,(H,26,29)(H,27,30)/t16-,18-,19-,20-,21-/m0/s1
Molecular Formula: C25H35N3O6	Mol. Weight: 473.2526	logP: 1.5453
HBD: 2	HBA: 6
#Rotatable Bonds: 11	TPSA: 117.34