structure of Threonyl-lysyl-proline

Threonyl-lysyl-proline

CAS No.: 41961-56-2
M. Wt: 344.40700
M. Fa: C15H28N4O5
InChI Key: WFAUDCSNCWJJAA-RHYQMDGZSA-N

Names and Identifiers of Threonyl-lysyl-proline

CAS Number

41961-56-2

IUPAC Name

(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

InChI

InChI=1S/C15H28N4O5/c1-9(20)12(17)13(21)18-10(5-2-3-7-16)14(22)19-8-4-6-11(19)15(23)24/h9-12,20H,2-8,16-17H2,1H3,(H,18,21)(H,23,24)/t9-,10+,11+,12+/m1/s1

InChIKey

WFAUDCSNCWJJAA-RHYQMDGZSA-N

Canonical SMILES

CC(C(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)N)O

Physical and chemical properties of Threonyl-lysyl-proline

Boiling Point

707.4ºC at 760mmHg

Density

1.288g/cm3

Exact Mass

344.20600

Flash Point

381.6ºC

Index of Refraction

1.56

LogP

0.11330

Molecular Formula

C15H28N4O5

Molecular Weight

344.40700

PSA

158.98000

Applications of Threonyl-lysyl-proline

Threonyl-lysyl-proline has potential applications in various fields:

  • Pharmaceuticals: Due to its inhibitory properties, it may serve as a lead compound for drug development targeting specific enzymes.
  • Biotechnology: It can be used in protein engineering and modification processes.
  • Nutraceuticals: Its amino acid composition may contribute to dietary supplements aimed at enhancing health and wellness.

Interaction Studies of Threonyl-lysyl-proline

Interaction studies involving threonyl-lysyl-proline focus on its binding affinity with enzymes and receptors. The compound's ability to modulate enzymatic activity suggests interactions with:

  • Enzymes: Particularly those involved in metabolic pathways where lysine plays a crucial role.
  • Receptors: Potential binding sites could include those associated with neurotransmission or hormonal regulation.

Understanding these interactions is essential for elucidating the compound's biological roles and therapeutic potential.

Biological Activity of Threonyl-lysyl-proline

Threonyl-lysyl-proline exhibits significant biological activity, particularly in relation to its inhibitory effects on certain enzymatic processes. Research indicates that this compound can inhibit specific enzymatic functions at low concentrations, with an inhibitory power of approximately 60% at concentrations ranging from 200 nanograms to 20 picograms . This suggests potential applications in therapeutic contexts where modulation of enzymatic activity is desired.

Additionally, the unique combination of threonine, lysine, and proline may contribute to its role in protein synthesis and cellular signaling pathways.