COVPDB

Ligand

Ligand Name: 4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE
Ligand Type: non-polymer
Ligand ID: COVPDB956	PubChem: 5288640
Synonym(s): 4-[[n-[(phenylmethoxy)carbonyl]-/nl/n-leucyl]amino]-1[(2s)-2-[[[4-(pyridinylmethoxy)carbonyl]amino]-4-methylpent/nyl]-3-pyrrolidinone/n q27461484 n-{(3r)-1-[(2s)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentyl]-4-oxopyrrolidin-3-yl}-n~2~-[(pyridin-4-ylmethoxy)carbonyl]-l-leucinamide show 2 synonym(s)
DrugBank: -	ChEMBL: CHEMBL1233623
Canonical SMILES: c1ccccc1COC(=O)N[C@@H](CC(C)C)CN2C[C@H](C(=O)C2)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccncc3
Standard InChI: InChI=1S/C31H43N5O6/c1-21(2)14-25(33-30(39)41-19-23-8-6-5-7-9-23)16-36-17-27(28(37)18-36)34-29(38)26(15-22(3)4)35-31(40)42-20-24-10-12-32-13-11-24/h5-13,21-22,25-27H,14-20H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)/t25-,26-,27+/m0/s1
Molecular Formula: C31H43N5O6	Mol. Weight: 581.32135	logP: 3.4331
HBD: 3	HBA: 8
#Rotatable Bonds: 14	TPSA: 138.96