COVPDB

Ligand

Ligand Name: N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE
Ligand Type: non-polymer
Ligand ID: COVPDB348	PubChem: 23647361
Synonym(s): n-{[(2s,3s)-3-(benzylcarbamoyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-proline ca inhibitor 5 bzlnh-tes-ile-pro-oh epoxysuccinyl derivative 5 bdbm16502 ca078 db07231 (2s)-1-[(2s,3s)-2-{[(2s,3s)-3-(benzylcarbamoyl)oxiran-2-yl]formamido}-3-methylpentanoyl]pyrrolidine-2-carboxylic acid q27096456 ca078; n-(l-3-trans-benzylcarbamoyloxirane-2-carbonyl)-l-isoleucyl-l-proline show 9 synonym(s)
DrugBank: DB07231	ChEMBL: CHEMBL1230555
Canonical SMILES: CC[C@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Standard InChI: InChI=1S/C22H29N3O6/c1-3-13(2)16(21(28)25-11-7-10-15(25)22(29)30)24-20(27)18-17(31-18)19(26)23-12-14-8-5-4-6-9-14/h4-6,8-9,13,15-18H,3,7,10-12H2,1-2H3,(H,23,26)(H,24,27)(H,29,30)/t13-,15-,16-,17-,18-/m0/s1
Molecular Formula: C22H29N3O6	Mol. Weight: 431.20563	logP: 0.6767
HBD: 3	HBA: 5
#Rotatable Bonds: 9	TPSA: 128.34