4-[(2-Methylpropan-2-yl)oxy]-2-[(3-nitropyridin-2-yl)sulfanylamino]-4-oxobutanoic acid

Base Information

• Chemical Name: 4-[(2-Methylpropan-2-yl)oxy]-2-[(3-nitropyridin-2-yl)sulfanylamino]-4-oxobutanoic acid
• CAS No.: 108312-24-9
• Molecular Formula: C13H17 N3 O6 S
• Molecular Weight: 343.36
• DSSTox Substance ID: DTXSID20410768
• Mol file: 108312-24-9.mol

Synonyms:N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester;4-[(2-methylpropan-2-yl)oxy]-2-[(3-nitropyridin-2-yl)sulfanylamino]-4-oxobutanoic acid;108312-24-9;DTXSID20410768

Chemical Property of 4-[(2-Methylpropan-2-yl)oxy]-2-[(3-nitropyridin-2-yl)sulfanylamino]-4-oxobutanoic acid

Chemical Property:

• PSA: 159.64000
• LogP: 2.68560
• Storage Temp.: −20°C
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 343.08380644
• Heavy Atom Count: 23
• Complexity: 448

Purity/Quality:

95% ^*data from raw suppliers

N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid β-t-butyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CC(C(=O)O)NSC1=C(C=CC=N1)[N+](=O)[O-]

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