peptide 18 [PMID: 24350995]

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Ligands
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

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

Synonyms

Ac-LLLLRVK-Amba

Database Links
ChEMBL Ligand	CHEMBL3115771
GtoPdb PubChem SID	252166858
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].

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].