COVPDB

Ligand

Ligand Name: NS-134
Ligand Type: peptide-like
Ligand ID: COVPDB764	PubChem: 10257704
Synonym(s): methyl n-[(2s)-4-{[(1s)-1-{[(2s)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-l-leucylglycylglycinate methyl n-{[(2s,3s)-3-{[(1s)-1-{[(2s)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]carbamoyl}oxiran-2-yl]carbonyl}-l-leucylglycylglycinate epoxysuccinyl derivative ns134 chembl1232542 bdbm16511 meo-gly-gly-leu-nh-tes-leu-pro-oh q27460011 (2s)-1-[(2s)-2-{[(2s,3s)-3-{[(1s)-1-({[(2-methoxy-2-oxoethyl)carbamoyl]methyl}carbamoyl)-3-methylbutyl]carbamoyl}oxiran-2-yl]formamido}-4-methylpentanoyl]pyrrolidine-2-carboxylic acid show 7 synonym(s)
DrugBank: -	ChEMBL: CHEMBL1232542
Canonical SMILES: COC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O
Standard InChI: InChI=1S/C26H41N5O10/c1-13(2)9-15(22(34)28-11-18(32)27-12-19(33)40-5)29-23(35)20-21(41-20)24(36)30-16(10-14(3)4)25(37)31-8-6-7-17(31)26(38)39/h13-17,20-21H,6-12H2,1-5H3,(H,27,32)(H,28,34)(H,29,35)(H,30,36)(H,38,39)/t15-,16-,17-,20-,21-/m0/s1
Molecular Formula: C26H41N5O10	Mol. Weight: 583.28534	logP: -1.7034
HBD: 5	HBA: 9
#Rotatable Bonds: 15	TPSA: 212.84