COVPDB

Ligand

Ligand Name: CBZ-ASP-GLU-VAL-azaASP-EP-COO-CH2PH
Ligand Type: peptide-like
Ligand ID: COVPDB1118	PubChem: 11400070
Synonym(s): (4s)-5-[[(2s)-1-[2-(carboxymethyl)-2-[(2s,3s)-3-phenylmethoxycarbonyloxirane-2-carbonyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2s)-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoic acid
DrugBank: -	ChEMBL: -
Canonical SMILES: CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)NN(CC(O)=O)C(=O)[C@H]1O[C@@H]1C(=O)OCc1ccccc1
Standard InChI: InChI=1S/C35H41N5O15/c1-19(2)27(32(49)39-40(16-26(45)46)33(50)28-29(55-28)34(51)53-17-20-9-5-3-6-10-20)38-30(47)22(13-14-24(41)42)36-31(48)23(15-25(43)44)37-35(52)54-18-21-11-7-4-8-12-21/h3-12,19,22-23,27-29H,13-18H2,1-2H3,(H,36,48)(H,37,52)(H,38,47)(H,39,49)(H,41,42)(H,43,44)(H,45,46)/t22-,23-,27-,28-,29-/m0/s1
Molecular Formula: C35H41N5O15	Mol. Weight: 771.2599	logP: -0.2983
HBD: 7	HBA: 12
#Rotatable Bonds: 20	TPSA: 296.67