Asn-Glu

Base Information

• Chemical Name: Asn-Glu
• CAS No.: 20917-58-2
• Molecular Formula: C₉H₁₅N₃O₆
• Molecular Weight: 261.235
• Hs Code.: 2924199090
• Wikidata: Q27144141
• Metabolomics Workbench ID: 78702
• Mol file: 20917-58-2.mol

Synonyms:Asn-Glu;H-ASN-GLU-OH;asparaginylglutamic acid;20917-58-2;L-asparaginyl-L-glutamic acid;(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanedioic acid;NE dipeptide;N-E Dipeptide;Asparaginylglutamate;L-Asn-L-Glu;Asparagyl-Glutaminsaure;Asparaginyl-Glutamic acid;L-Asparaginyl-L-Glutamate;Asparagine Glutamate dipeptide;Asparagine-Glutamate dipeptide;CHEBI:73824;Q27144141;(S)-2-((S)-2,4-diamino-4-oxobutanamido)pentanedioic acid

Chemical Property of Asn-Glu

Chemical Property:

• PSA: 172.81000
• LogP: -0.58520
• Storage Temp.: -15°C
• XLogP3: -5.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 261.09608521
• Heavy Atom Count: 18
• Complexity: 356

Purity/Quality:

99% ^*data from raw suppliers

H-Asn-Glu-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Asn-Glu

There total 4 articles about Asn-Glu 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:

dibenzyl ester of L-glutamic acid p-toluenesulfonate (130289-55-3) → Asn Glu (20917-58-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / tetrahydrofuran / Ambient temperature

2: HBr, AcOH / Ambient temperature

With hydrogen bromide; acetic acid; triethylamine; In tetrahydrofuran;

DOI:10.1021/ja00845a033

Reference yield:

tert.-Butyloxycarbonyl-L-asparaginyl-α,γ-dibenzyl-L-glutamat (34724-02-2) → Asn Glu (20917-58-2)

Guidance literature:

With hydrogen bromide; acetic acid; Ambient temperature;

DOI:10.1021/ja00845a033

Reference yield:

(S)-2-((S)-2-Amino-3-carbamoyl-propionylamino)-pentanedioic acid 1-(4-nitro-benzyl) ester → Asn Glu (20917-58-2)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1248/cpb.25.2613

upstream raw materials:

tert.-Butyloxycarbonyl-L-asparaginyl-α,γ-dibenzyl-L-glutamat

dibenzyl ester of L-glutamic acid p-toluenesulfonate

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