(2S)-4-amino-2-[(azaniumylacetyl)amino]-4-oxobutanoate

Base Information

• Chemical Name: (2S)-4-amino-2-[(azaniumylacetyl)amino]-4-oxobutanoate
• CAS No.: 1999-33-3
• Molecular Formula: C6H11N3O4
• Molecular Weight: 189.171
• Hs Code.: 2924199090
• Mol file: 1999-33-3.mol

Synonyms:GN zwitterion;(2S)-4-amino-2-[(azaniumylacetyl)amino]-4-oxobutanoate;Gly-Asn zwitterion;Gly-L-Asn zwitterion;glycylasparagine zwitterion;glycyl-L-asparagine zwitterion;CHEBI:74391

Chemical Property of (2S)-4-amino-2-[(azaniumylacetyl)amino]-4-oxobutanoate

Chemical Property:

• Vapor Pressure: 2.13E-17mmHg at 25°C
• Refractive Index: -8 ° (C=1, H2O)
• Boiling Point: 628.2 °C at 760 mmHg
• Flash Point: 333.8 °C
• PSA: 135.51000
• Density: 1.422 g/cm³
• LogP: -0.81860
• Storage Temp.: -15°C
• Water Solubility.: almost transparency in Water
• XLogP3: -4.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 189.07495584
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C(C(=O)[O-])NC(=O)C[NH3+])C(=O)N
• Isomeric SMILES: C([C@@H](C(=O)[O-])NC(=O)C[NH3+])C(=O)N

Technology Process of (2S)-4-amino-2-[(azaniumylacetyl)amino]-4-oxobutanoate

There total 6 articles about (2S)-4-amino-2-[(azaniumylacetyl)amino]-4-oxobutanoate 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: 92.0%

N-benzyloxycarbonylglycyl-L-asparagine (974-17-4) → glycyl-L-asparagine (1999-33-3,24667-21-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; water; for 2h;

DOI:10.1007/BF00630258

Reference yield:

-benzylester (896436-37-6) → glycyl-L-asparagine (1999-33-3,24667-21-8)

Guidance literature:

With hydrogen; palladium;

DOI:10.1021/jo01065a038

Reference yield:

→ glycyl-L-asparagine (1999-33-3,24667-21-8)

Guidance literature:

With ammonia;

upstream raw materials:

N²-(N,N-phthaloyl-glycyl)-L-asparagine

-benzylester

N-benzyloxycarbonylglycyl-L-asparagine

Downstream raw materials:

((S)-3,6-dioxo-piperazin-2-yl)-acetic acid amide

N-benzyloxycarbonylglycyl-L-asparagine

ZThrAsp(OBzl)GlyAsnOH

N-benzyloxycarbonylglycyl-L-asparagylglycine benzyl ester

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