L-Threonyl-L-leucine - ≥95% , CAS No.50299-12-2

CAS: 50299-12-2 Cat. No.: B301264 Molecular Weight: 232.28

GRADE & PURITY ≥95%

Synonyms

(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoic acid | threonylleucine | Threonyl-leucine | L-Thr-L-Leu | Q27144970 | TL dipeptide | T-L Dipeptide | MFCD00083825 | Threoninylleucine | Threoninyl-Leucine | Threonine-Leucine dipeptide |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(2S)-2-[[(2S, 3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoic acid | threonylleucine | Threonyl-leucine | L-Thr-L-Leu | Q27144970 | TL dipeptide | T-L Dipeptide | MFCD00083825 | Threoninylleucine | Threoninyl-Leucine | Threonine-Leucine dipeptide |

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504764666
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764666
• Canonical Smiles: CC(C)CC(C(=O)O)NC(=O)C(C(C)O)N
• IUPAC Name: (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoic acid
• InChIKey: BQBCIBCLXBKYHW-CSMHCCOUSA-N
• INCHI: 1S/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7+,8+/m1/s1
• Isomeric SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N)O
• Molecular Weight: 232.28
• Reaxy-Rn: 38117028
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38117028&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Leucine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Hydroxy fatty acids Methyl-branched fatty acids N-acyl amines Secondary carboxylic acid amides Secondary alcohols Amino acids Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Monoalkylamines Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - Leucine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Branched fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Fatty amide - N-acyl-amine - Fatty acyl - Fatty acid - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Amino acid - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Primary aliphatic amine - Organic oxygen compound - Organic oxide - Organic salt - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: dipeptide

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 232.280 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 232.142 Da
• Monoisotopic Mass: 232.142 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 255.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 1