COVPDB

Ligand

Ligand Name: N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE
Ligand Type: non-polymer
Ligand ID: COVPDB952	PubChem: 5288633
Synonym(s): chembl57836 bdbm50079596 q27461476 ((s)-1-{n''-[2-((s)-1-benzyloxycarbonylamino-3-methyl-butyl)-thiazole-4-carbonyl]-hydrazinocarbonyl}-3-methyl-butyl)-carbamic acid benzyl ester", "(1-{n''-[2-(1-benzyloxycarbonylamino-3-methyl-butyl)-thiazole-4-carbonyl]-hydrazinocarbonyl}-3-methyl-butyl)-carbamic acid benzyl ester 1-[n-(benzyloxycarbonyl)-l-leucyl]-2-[2-[(s)-1-(benzyloxycarbonylamino)-3-methylbutyl]-4-thiazolylcarbonyl]hydrazine benzyl [(1s)-1-{[2-({2-[(1s)-1-{[(benzyloxy)carbonyl]amino}-3-methylbutyl]-1,3-thiazol-4-yl}carbonyl)hydrazino]carbonyl}-3-methylbutyl]carbamate (non-preferred name) n-[2-[1-(n-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-n''-(benzyloxycarbonyl-l-leucinyl)hydrazide"] show 6 synonym(s)
DrugBank: -	ChEMBL: CHEMBL57836
Canonical SMILES: c1ccccc1COC(=O)N[C@@H](CC(C)C)c2nc(cs2)C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3
Standard InChI: InChI=1S/C31H39N5O6S/c1-20(2)15-24(33-30(39)41-17-22-11-7-5-8-12-22)27(37)35-36-28(38)26-19-43-29(32-26)25(16-21(3)4)34-31(40)42-18-23-13-9-6-10-14-23/h5-14,19-21,24-25H,15-18H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t24-,25-/m0/s1
Molecular Formula: C31H39N5O6S	Mol. Weight: 609.2621	logP: 5.2588
HBD: 4	HBA: 8
#Rotatable Bonds: 13	TPSA: 147.75