compound 28 [PMID: 18324760]

Ligand id: 6555

Name: compound 28 [PMID: 18324760]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 133.82
Molecular weight 452.21
XLogP 3.88
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-benzyl-3-{[(2S)-1-[(2S)-2-acetamido-4-methylpentanoyl]pyrrolidin-2-yl](hydroxy)phosphoryl}propanoic acid
Database Links
ChEMBL Ligand CHEMBL260273
PubChem CID 24827312
Search Google for chemical match using the InChIKey DGMLSHVZZKUDPN-AABGKKOBSA-N
Search Google for chemicals with the same backbone DGMLSHVZZKUDPN
Search UniChem for chemical match using the InChIKey DGMLSHVZZKUDPN-AABGKKOBSA-N
Search UniChem for chemicals with the same backbone DGMLSHVZZKUDPN
Comments
ACE2 inhibitor