COVPDB

Ligand

Ligand Name: (2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-(carbamoylamino)-3-methylbutanamide
Ligand Type: non-polymer
Ligand ID: COVPDB299	PubChem: 44453367
Synonym(s): chembl271508 bdbm50228758 (s)-n-[(s)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-2-ureido-butyramide (s)-5-(amidinoamino)-2-[(s)-2-(carbamoylamino)-3-methylbutyrylamino]-1-(2-thiazolyl)-1-pentanone 1-((s)-1-((s)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)urea show 4 synonym(s)
DrugBank: -	ChEMBL: CHEMBL271508
Canonical SMILES: CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Standard InChI: InChI=1S/C15H25N7O3S/c1-8(2)10(22-15(18)25)12(24)21-9(4-3-5-20-14(16)17)11(23)13-19-6-7-26-13/h6-10H,3-5H2,1-2H3,(H,21,24)(H4,16,17,20)(H3,18,22,25)/t9-,10-/m0/s1
Molecular Formula: C15H25N7O3S	Mol. Weight: 383.17395	logP: -0.23323
HBD: 6	HBA: 6
#Rotatable Bonds: 10	TPSA: 176.08