peptide 18 [PMID: 24350995]

Ligand id: 8658

Name: peptide 18 [PMID: 24350995]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 22
Hydrogen bond donors 13
Rotatable bonds 42
Topological polar surface area 373.09
Molecular weight 1026.71
XLogP 4.61
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-6-amino-N-[(4-carbamimidoylphenyl)methyl]hexanamide
Synonyms
Ac-LLLLRVK-Amba
Database Links
ChEMBL Ligand CHEMBL3115771
PubChem CID 75593419
Search Google for chemical match using the InChIKey UFNWIBYSOUCSGW-FVMQRRFMSA-N
Search Google for chemicals with the same backbone UFNWIBYSOUCSGW
Search UniChem for chemical match using the InChIKey UFNWIBYSOUCSGW-FVMQRRFMSA-N
Search UniChem for chemicals with the same backbone UFNWIBYSOUCSGW
Comments
This peptide is a modified, and optimised analogue of multi-Leu (ML)-peptide, with an arginine mimetic at the P1 position (i.e. at the N-terminal arginine) [1].