Nα-p-Tosyl-L-lysine methyl ester hydrochloride - ≥97% , CAS No.5266-48-8

CAS: 5266-48-8 Cat. No.: N170795 Molecular Weight: 350.86 PubChem CID: 66509110

GRADE & PURITY ≥97%

Synonyms

Tos-Lys-OMe . HCl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Tos-Lys-OMe . HCl

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504771820
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771820
• Canonical Smiles: CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCN)C(=O)OC.Cl
• IUPAC Name: methyl (2S)-6-amino-2-[(4-methylphenyl)sulfonylamino]hexanoate;hydrochloride
• InChIKey: NAFMQDMELNDXBJ-ZOWNYOTGSA-N
• INCHI: 1S/C14H22N2O4S.ClH/c1-11-6-8-12(9-7-11)21(18,19)16-13(14(17)20-2)5-3-4-10-15;/h6-9,13,16H,3-5,10,15H2,1-2H3;1H/t13-;/m0./s1
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCN)C(=O)OC.Cl
• PubChem CID: 66509110
• Molecular Weight: 350.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: P-toluenesulfonamides Benzenesulfonamides Benzenesulfonyl compounds Fatty acid esters Organosulfonamides Methyl esters Aminosulfonyl compounds Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Fatty acid ester - Toluene - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Fatty acyl - Aminosulfonyl compound - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Hydrochloride - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 350.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 350.107 Da
• Monoisotopic Mass: 350.107 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 411.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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