structure of Tyrosyl-prolyl-phenylalanyl-proline

Tyrosyl-prolyl-phenylalanyl-proline

CAS No.: 74171-19-0
M. Wt: 522.59300
M. Fa: C28H34N4O6
InChI Key: DCGNJQAPLOBXDM-ZJZGAYNASA-N

Names and Identifiers of Tyrosyl-prolyl-phenylalanyl-proline

CAS Number

74171-19-0

IUPAC Name

(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid

InChI

InChI=1S/C28H34N4O6/c29-21(16-19-10-12-20(33)13-11-19)26(35)31-14-4-8-23(31)25(34)30-22(17-18-6-2-1-3-7-18)27(36)32-15-5-9-24(32)28(37)38/h1-3,6-7,10-13,21-24,33H,4-5,8-9,14-17,29H2,(H,30,34)(H,37,38)/t21-,22-,23-,24-/m0/s1

InChIKey

DCGNJQAPLOBXDM-ZJZGAYNASA-N

Canonical SMILES

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)O

Physical and chemical properties of Tyrosyl-prolyl-phenylalanyl-proline

Boiling Point

895.3ºC at 760 mmHg

Density

1.351g/cm3

Exact Mass

522.24800

Flash Point

495.2ºC

Index of Refraction

1.633

LogP

2.02310

Molecular Formula

C28H34N4O6

Molecular Weight

522.59300

PSA

153.27000

Storage condition

-15°C

Applications of Tyrosyl-prolyl-phenylalanyl-proline

Tyrosyl-prolyl-phenylalanyl-proline has potential applications in various fields:

  • Pharmaceuticals: Due to its opioid-like effects, it may be explored for therapeutic uses in pain management.
  • Nutraceuticals: As a bioactive peptide, it may be included in dietary supplements aimed at improving metabolic health.
  • Research: It serves as a model compound for studying peptide interactions and protein folding mechanisms due to its unique structural properties.

Interaction Studies of Tyrosyl-prolyl-phenylalanyl-proline

Research into the interactions of tyrosyl-prolyl-phenylalanyl-proline has revealed its ability to coordinate with metal ions, which is significant for understanding its role in bioinorganic chemistry. Studies have shown that peptides containing proline and aromatic residues can form complexes with metal ions, providing insights into their biological functions and potential applications in metal ion transport systems within cells.

Biological Activity of Tyrosyl-prolyl-phenylalanyl-proline

Tyrosyl-prolyl-phenylalanyl-proline has been identified as a bioactive peptide, particularly recognized as beta-casomorphin 4, which is derived from the digestion of milk protein casein. This peptide exhibits opioid-like activity by binding to opioid receptors present in various tissues, including the gut and brain. Its action influences several physiological processes, including fat intake regulation and postprandial metabolism.

The peptide's interaction with opioid receptors triggers a cascade of biochemical pathways that can modulate metabolic functions and potentially contribute to pain management and appetite regulation.