Ac-DEVD-CHO

Ligand id: 6527

Name: Ac-DEVD-CHO

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 7
Rotatable bonds 20
Topological polar surface area 245.37
Molecular weight 502.19
XLogP -2.51
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Database Links
CAS Registry No. 169332-60-9 (source: PubChem)
ChEBI CHEBI:59385
ChEMBL Ligand CHEMBL417149
PubChem CID 644345
Search Google for chemical match using the InChIKey UMBVAPCONCILTL-MRHIQRDNSA-N
Search Google for chemicals with the same backbone UMBVAPCONCILTL
Comments
Caspase-3 inhibitor