COVPDB

Ligand

Ligand Name: CA075
Ligand Type: non-polymer
Ligand ID: COVPDB344	PubChem: 23647358
Synonym(s): n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-alanine ca inhibitor 2 eto-tes-ile-ala-oh epoxysuccinyl derivative 2 bdbm16499 db07224 q27096449 ca075; n-(l-3-trans-ethoxycarbonyloxirane-2-carbonyl)-l-isoleucyl-l-alanine (2s)-2-[(2s,3s)-2-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]formamido}-3-methylpentanamido]propanoic acid show 8 synonym(s)
DrugBank: DB07224	ChEMBL: CHEMBL1230544
Canonical SMILES: CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O
Standard InChI: InChI=1S/C15H24N2O7/c1-5-7(3)9(12(18)16-8(4)14(20)21)17-13(19)10-11(24-10)15(22)23-6-2/h7-11H,5-6H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-,10-,11-/m0/s1
Molecular Formula: C15H24N2O7	Mol. Weight: 344.15836	logP: -0.5629
HBD: 3	HBA: 6
#Rotatable Bonds: 9	TPSA: 134.33