COVPDB

Ligand

Ligand Name: B-CA059
Ligand Type: non-polymer
Ligand ID: COVPDB252	PubChem: 23647357
Synonym(s): n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucine eto-tes-ile-oh epoxysuccinyl derivative 1 chembl1230379 bdbm16497 ca059 db07160 (2s,3s)-2-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]formamido}-3-methylpentanoic acid q27096075 ca059; n-(l-3-trans-ethoxycarbonyloxirane-2-carbonyl)-l-isoleucine show 9 synonym(s)
DrugBank: DB07160	ChEMBL: CHEMBL1230379
Canonical SMILES: CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Standard InChI: InChI=1S/C12H19NO6/c1-4-6(3)7(11(15)16)13-10(14)8-9(19-8)12(17)18-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-,8-,9-/m0/s1
Molecular Formula: C12H19NO6	Mol. Weight: 273.12125	logP: -0.0676
HBD: 2	HBA: 5
#Rotatable Bonds: 7	TPSA: 105.23