Aspartylysine

Base Information

• Chemical Name: Aspartylysine
• CAS No.: 5853-83-8
• Molecular Formula: C₁₀H₁₉N₃O₅
• Molecular Weight: 261.278
• UNII: 295UUP4557
• DSSTox Substance ID: DTXSID30974088
• Nikkaji Number: J3.276.559I
• Metabolomics Workbench ID: 38685
• Mol file: 5853-83-8.mol

Synonyms:Aspartylysine;56523-60-5;(2S)-6-amino-2-[[(3S)-3-amino-3-carboxypropanoyl]amino]hexanoic acid;(2S)-6-AMINO-2-[(3S)-3-AMINO-3-CARBOXYPROPANAMIDO]HEXANOIC ACID;(2S)-6-azaniumyl-2-[[(3S)-3-azaniumyl-3-carboxylatopropanoyl]amino]hexanoate;L-beta-Aspartyl-L-lysine;L-Lysine, L-beta-aspartyl-;SCHEMBL1308760;DTXSID30974088;CHEBI:173863;295UUP4557;N~2~-(3-Amino-3-carboxy-1-hydroxypropylidene)lysine

Chemical Property of Aspartylysine

Chemical Property:

• Vapor Pressure: 7.23E-16mmHg at 25°C
• Boiling Point: 595.1°Cat760mmHg
• Flash Point: 313.7°C
• PSA: 155.74000
• Density: 1.326g/cm³
• LogP: 0.27830
• XLogP3: -6.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 261.13247072
• Heavy Atom Count: 18
• Complexity: 308

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Aspartylysine

There total 4 articles about Aspartylysine 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:

N6-[(benzyloxy)carbonyl]-L-lysine (1155-64-2,57705-97-2,67178-46-5,25931-47-9) → N6-L-β-aspartyl-L-lysine (5853-83-8)

Guidance literature:

Multi-step reaction with 4 steps

2: palladium/charcoal; acetic acid; aqueous methanol / Hydrogenation

3: HCl

With hydrogenchloride; methanol; palladium on activated charcoal; acetic acid;

Reference yield:

N2-(toluene-4-sulfonyl)-L-lysine (2104-87-2) → N6-L-β-aspartyl-L-lysine (5853-83-8)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl

With hydrogenchloride;

Reference yield:

N-tosyl-N'-benzyloxycarbonyl-L-lysine (34235-82-0) → N6-L-β-aspartyl-L-lysine (5853-83-8)

Guidance literature:

Multi-step reaction with 3 steps

1: palladium/charcoal; acetic acid; aqueous methanol / Hydrogenation

2: HCl

With hydrogenchloride; methanol; palladium on activated charcoal; acetic acid;

upstream raw materials:

Z-Asp-OBn

N²-(toluene-4-sulfonyl)-L-lysine benzyl ester

N₆-[(benzyloxy)carbonyl]-L-lysine

N²-(toluene-4-sulfonyl)-L-lysine