(2S)-4-methyl-2-[(3-nitropyridin-2-yl)sulfanylamino]pentanoic acid

Base Information

• Chemical Name: (2S)-4-methyl-2-[(3-nitropyridin-2-yl)sulfanylamino]pentanoic acid
• CAS No.: 76863-77-9
• Molecular Formula: C11H15 N3 O4 S
• Molecular Weight: 285.32
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10350907
• Wikidata: Q82126984
• Mol file: 76863-77-9.mol

Synonyms:N-(3-Nitro-2-pyridinesulfenyl)-L-leucine;76863-77-9;(2S)-4-methyl-2-[(3-nitropyridin-2-yl)sulfanylamino]pentanoic acid;DTXSID10350907;AG-H-06975;HY-W142034;CS-0201819;(S)-4-methyl-2-(3-nitropyridin-2-ylthioamino)pentanoic acid

Chemical Property of (2S)-4-methyl-2-[(3-nitropyridin-2-yl)sulfanylamino]pentanoic acid

Chemical Property:

• PSA: 133.34000
• LogP: 2.99990
• Storage Temp.: −20°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 285.07832714
• Heavy Atom Count: 19
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

N-(3-Nitro-2-pyridinesulfenyl)-L-leucine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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