compound 4 [PMID: 25259874]

Ligand id: 8384

Name: compound 4 [PMID: 25259874]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 14
Topological polar surface area 153.6
Molecular weight 428.19
XLogP 4.69
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethylsulfanyl)acetyl]amino]pentanoic acid
Database Links
PubChem CID 91827355
Search Google for chemical match using the InChIKey OVJFQPIFXZBDKN-IBGZPJMESA-N
Search Google for chemicals with the same backbone OVJFQPIFXZBDKN
Search UniChem for chemical match using the InChIKey OVJFQPIFXZBDKN-IBGZPJMESA-N
Search UniChem for chemicals with the same backbone OVJFQPIFXZBDKN