TIPPψ

Ligand id: 1637

Name: TIPPψ

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 15
Topological polar surface area 144.99
Molecular weight 620.3
XLogP 6.89
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
Synonyms
TIPP-psi
Database Links
CAS Registry No. 159992-07-1
ChEMBL Ligand CHEMBL3038183
PubChem CID 5311481
Search Google for chemical match using the InChIKey RPKMHCAOERKVEC-DYTOPAQESA-N
Search Google for chemicals with the same backbone RPKMHCAOERKVEC
Search UniChem for chemical match using the InChIKey RPKMHCAOERKVEC-DYTOPAQESA-N
Search UniChem for chemicals with the same backbone RPKMHCAOERKVEC