Met-ala

Base Information

• Chemical Name: Met-ala
• CAS No.: 3061-96-9
• Molecular Formula: C8H16 N2 O3 S
• Molecular Weight: 220.293
• Hs Code.: 2930909090
• Nikkaji Number: J149.659J
• Wikidata: Q27141919
• Metabolomics Workbench ID: 78896
• ChEMBL ID: CHEMBL1222161
• Mol file: 3061-96-9.mol

Synonyms:H-Met-Ala-OH;MET-ALA;L-methionyl-L-alanine;3061-96-9;Methionyl-alanine;CHEMBL1222161;CHEBI:74394;L-Met-L-Ala;N-L-Methionyl-L-alanine;SCHEMBL2875974;CHEBI:73610;JHKXZYLNVJRAAJ-WDSKDSINSA-N;BDBM50485557;AKOS010420473;EN300-7525675;Q27141919;Z760100036;(2S)-2-[(2S)-2-AMINO-4-(METHYLSULFANYL)BUTANAMIDO]PROPANOIC ACID

Chemical Property of Met-ala

Chemical Property:

• Boiling Point: 479.6±45.0 °C(Predicted)
• PKA: 3.12±0.10(Predicted)
• PSA: 117.72000
• Density: 1.226±0.06 g/cm3(Predicted)
• LogP: 0.74730
• Storage Temp.: -15°C
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 220.08816355
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

98%Min ^*data from raw suppliers

H-Met-Ala-OH formiate salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)NC(=O)C(CCSC)N
• Isomeric SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CCSC)N

Technology Process of Met-ala

There total 2 articles about Met-ala which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-acetyl-L-methionine-L-alanine (17351-39-2) → L-methionyl-L-alanine (3061-96-9)

Guidance literature:

With Aspergillus oryzae acylase; relative rates;

DOI:10.1007/BF00580465

Reference yield:

→ L-methionyl-L-alanine (3061-96-9)

Guidance literature:

L-Methionin, Phosgen, NaBH4, L-Alanin;

Reference yield:

L-methionyl-L-alanine (3061-96-9) → methionine S-oxide (3226-65-1,86631-49-4,779988-65-7)

Guidance literature:

With 3C₁₂H₁₂N₂*Ru⁽³⁺⁾; In acetonitrile; at 24.84 ℃; for 0.333333h; Reagent/catalyst; Kinetics;

DOI:10.1016/j.jphotochem.2014.09.003

upstream raw materials:

N-acetyl-L-methionine-L-alanine

Downstream raw materials:

methionine S-oxide

Refernces

• 1、 Malinka, M. K.,Stepanov, V. M.,Lobareva, L. S.. "ISOLATION AND CHARACTERIZATION OF AN L-AMINO ACID ACYLASE FROM Aspergillus oryzae". . p. 341 - 349. Retrieved 2007/10/02.