COVPDB

Ligand

Ligand Name: CA076
Ligand Type: non-polymer
Ligand ID: COVPDB345	PubChem: 46937062
Synonym(s): n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-isoleucine chembl1230547 db07225 q27096450 ca076; n-(l-3-trans-ethoxycarbonyloxirane-2-carbonyl)-l-isoleucyl-l-isoleucine show 4 synonym(s)
DrugBank: DB07225	ChEMBL: CHEMBL1230547
Canonical SMILES: CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Standard InChI: InChI=1S/C18H30N2O7/c1-6-9(4)11(15(21)20-12(17(23)24)10(5)7-2)19-16(22)13-14(27-13)18(25)26-8-3/h9-14H,6-8H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t9-,10-,11-,12-,13-,14-/m0/s1
Molecular Formula: C18H30N2O7	Mol. Weight: 386.2053	logP: 0.4633
HBD: 3	HBA: 6
#Rotatable Bonds: 11	TPSA: 134.33