COVPDB

Ligand

Ligand Name: phenylmethyl N-[(2S)-4-methyl-1-[[(3R)-1-[(2S)-4-methyl-2-phenylmethoxycarbonylamino-pentanoyl]-4-oxo-pyrrolidin-3-yl]amino]-1-oxo-pentan-2-yl]carbamate
Ligand Type: non-polymer
Ligand ID: COVPDB1218	PubChem: 5289122
Synonym(s): 1-[n[(phenylmethoxy)carbonyl]-l-leucyl-4-[[n/n-[(phenylmethoxy)carbonyl]-/nl-leucyl]amino]-3-pyrrolidinone/n db03405 n~2~-[(benzyloxy)carbonyl]-n-[(3r)-1-{n-[(benzyloxy)carbonyl]-l-leucyl}-4-oxopyrrolidin-3-yl]-l-leucinamide n2-[(benzyloxy)carbonyl]-n-[(3r)-1-{n-[(benzyloxy)carbonyl]-l-leucyl}-4-oxo-3-pyrrolidinyl]-l-leucinamide show 3 synonym(s)
DrugBank: DB03405	ChEMBL: CHEMBL1235179
Canonical SMILES: c1ccccc1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CN(CC2=O)C(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3
Standard InChI: InChI=1S/C32H42N4O7/c1-21(2)15-25(34-31(40)42-19-23-11-7-5-8-12-23)29(38)33-27-17-36(18-28(27)37)30(39)26(16-22(3)4)35-32(41)43-20-24-13-9-6-10-14-24/h5-14,21-22,25-27H,15-20H2,1-4H3,(H,33,38)(H,34,40)(H,35,41)/t25-,26-,27+/m0/s1
Molecular Formula: C32H42N4O7	Mol. Weight: 594.30536	logP: 3.5647
HBD: 3	HBA: 7
#Rotatable Bonds: 13	TPSA: 143.14