(2S)-3-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid

Base Information

• Chemical Name: (2S)-3-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
• CAS No.: 1009595-18-9
• Molecular Formula: C15H23 N O4 S
• DSSTox Substance ID: DTXSID60368810
• Wikidata: Q82155640
• Mol file: 1009595-18-9.mol

Synonyms:1009595-18-9;(2S)-3-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid;N-(2,3,5,6-Tetramethylbenzene-1-sulfonyl)-L-valine;N-(2,3,5,6-Tetramethylphenylsulfonyl)-L-valine monohydrate;DTXSID60368810;AKOS010371656

Chemical Property of (2S)-3-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 313.13477939
• Heavy Atom Count: 21
• Complexity: 455

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)S(=O)(=O)NC(C(C)C)C(=O)O)C)C
• Isomeric SMILES: CC1=CC(=C(C(=C1C)S(=O)(=O)N[C@@H](C(C)C)C(=O)O)C)C