COVPDB

Ligand

Ligand Name: WRR483
Ligand Type: non-polymer
Ligand ID: COVPDB234	PubChem: 25028695
Synonym(s): wrr-483 (z)-n-(5-guanidino-1-oxo-1-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)pentan-2-yl)-4-methylpiperazine-1-carboxamide 1076088-50-0 n-((s)-5-guanidino-1-oxo-1-(((s,e)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)amino)pentan-2-yl)-4-methylpiperazine-1-carboxamide schembl8126749 chembl1230301 q27454825 (z)-n-(5-guanidino-1-oxo-1-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)pentan-2-yl)-4-methylpiperazine-1-carboxamid 4-methyl-piperazine-1-carboxylic acid [1-(3-benzenesulfonyl-1-phenethylallylcarbamoyl)-4-guanidino-butyl]-amide n~2~-[(4-methylpiperazin-1-yl)carbonyl]-n-[(1s,2e)-1-(2-phenylethyl)-3-(phenylsulfonyl)prop-2-en-1-yl]-l-argininamide show 9 synonym(s)
DrugBank: -	ChEMBL: CHEMBL1230301
Canonical SMILES: CN1CCN(CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1
Standard InChI: InChI=1S/C29H41N7O4S/c1-35-18-20-36(21-19-35)29(38)34-26(13-8-17-32-28(30)31)27(37)33-24(15-14-23-9-4-2-5-10-23)16-22-41(39,40)25-11-6-3-7-12-25/h2-7,9-12,16,22,24,26H,8,13-15,17-21H2,1H3,(H,33,37)(H,34,38)(H4,30,31,32)/b22-16+/t24-,26-/m0/s1
Molecular Formula: C29H41N7O4S	Mol. Weight: 583.29407	logP: 1.68047
HBD: 5	HBA: 6
#Rotatable Bonds: 13	TPSA: 160.72