Val-Asp

Base Information

• Chemical Name: Val-Asp
• CAS No.: 20556-16-5
• Molecular Formula: C₉H₁₆N₂O₅
• Molecular Weight: 232.236
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID601314048
• Nikkaji Number: J150.481I
• Wikidata: Q27145066
• Metabolomics Workbench ID: 79039
• Mol file: 20556-16-5.mol

Synonyms:H-VAL-ASP-OH;Val-Asp;20556-16-5;L-valyl-L-aspartic acid;valylaspartic acid;Valylaspartate;(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]butanedioic acid;L-Val-L-Asp;L-Valyl-L-Aspartate;(S)-2-((S)-2-Amino-3-methylbutanamido)succinic acid;Valyl-Aspartate;VD dipeptide;V-D Dipeptide;Valyl-aspartic acid;N-[valinyl]aspartic acid;Valine Aspartate dipeptide;Valine-Aspartate dipeptide;N-[valinyl] aspartic acid;N-L-Valyl-L-aspartic acid;SCHEMBL4423744;CHEBI:75009;OBTCMSPFOITUIJ-FSPLSTOPSA-N;DTXSID601314048;HY-P4660;Vd;MFCD00037280;CS-0655668;Q27145066

Chemical Property of Val-Asp

Chemical Property:

• PSA: 129.72000
• LogP: 0.10500
• Storage Temp.: -15°C
• Solubility.: Methanol (Slightly), Water (Slightly, Sonicated)
• XLogP3: -4.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 232.10592162
• Heavy Atom Count: 16
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

VAL-ASP-OH 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)NC(CC(=O)O)C(=O)O)N
• Isomeric SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N
• Recent ClinicalTrials: A Study of Evaluating the Safety and Efficacy of ATG-010, Bortezomib, and Dexamethasone (SVd) Versus Bortezomib and Dexamethasone (Vd) in Patients With Relapsed or Refractory Multiple Myeloma (RRMM)

Technology Process of Val-Asp

There total 8 articles about Val-Asp 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: 87.77%

Boc-Val-Asp-(OH)2 (142021-55-4) → Val-Asp (20556-16-5)

Guidance literature:

With formic acid; for 8h;

DOI:10.1002/chem.201001240

Reference yield:

Boc-Val-Asp-(OMe)2 (1262519-89-0) → Val-Asp (20556-16-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: water; sodium hydroxide / methanol / 10 h

1.2: pH 2 - 3

2.1: formic acid / 8 h

With formic acid; water; sodium hydroxide; In methanol;

DOI:10.1002/chem.201001240

Reference yield:

t-Boc-L-valine (13734-41-3) → Val-Asp (20556-16-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: benzotriazol-1-ol; dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 20 °C / Cooling with ice

2.1: water; sodium hydroxide / methanol / 10 h

2.2: pH 2 - 3

3.1: formic acid / 8 h

With formic acid; water; benzotriazol-1-ol; dicyclohexyl-carbodiimide; sodium hydroxide; In methanol; N,N-dimethyl-formamide;

DOI:10.1002/chem.201001240

upstream raw materials:

(S)-N-(benzyloxycarbonyl)valine

Boc-Val-Asp-(OMe)2

Boc-Val-Asp-(OH)2

t-Boc-L-valine