S-4-Nitrobenzoxycarbonylglutathione

Base Information

• Chemical Name: S-4-Nitrobenzoxycarbonylglutathione
• CAS No.: 95998-72-4
• Molecular Formula: C18H22 N4 O10 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID10914705
• Wikidata: Q82885513
• Mol file: 95998-72-4.mol

Synonyms:4-NCBG;p-NO2-CBZ-glutathione;S-(4-nitrocarbobenzoxy)glutathione;S-4-nitrobenzoxycarbonylglutathione;S-p-nitrobenzoxycarbonylglutathione

Chemical Property of S-4-Nitrobenzoxycarbonylglutathione

Chemical Property:

• PSA: 256.24000
• Density: 1.509g/cm³
• LogP: 1.84760
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 14
• Exact Mass: 486.10566408
• Heavy Atom Count: 33
• Complexity: 736

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1COC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N)[N+](=O)[O-]

Technology Process of S-4-Nitrobenzoxycarbonylglutathione

There total 1 articles about S-4-Nitrobenzoxycarbonylglutathione 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: 50.0%

GLUTATHIONE (70-18-8) + 4-nitrobenzyl chloroformate (4457-32-3) → S-(p-nitrocarbobenzoxy)glutathione (95998-72-4)

Guidance literature:

With sodium hydrogencarbonate; In diethyl ether; at 4 ℃; for 24h;

DOI:10.1021/jm00383a025

upstream raw materials:

GLUTATHIONE

4-nitrobenzyl chloroformate

Refernces