GRADE & PURITY ≥98%

Synonyms

FT-0758101 | Leucine-Valine dipeptide | (S)-2-((S)-2-Amino-4-methylpentanamido)-3-methylbutanoic acid | H-Dl-leu-dl-val-oh h2o | Leucine Valine dipeptide | MDSUKZSLOATHMH-UHFFFAOYSA-N | EN300-717302 | MFCD00068371 | (2S)-2-[[(2S)-2-amino-4-methylpentanoyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

FT-0758101 | Leucine-Valine dipeptide | (S)-2-((S)-2-Amino-4-methylpentanamido)-3-methylbutanoic acid | H-Dl-leu-dl-val-oh h2o | Leucine Valine dipeptide | MDSUKZSLOATHMH-UHFFFAOYSA-N | EN300-717302 | MFCD00068371 | (2S)-2-[[(2S)-2-amino-4-methylpentanoyl

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758568
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758568
• Canonical Smiles: CC(C)CC(C(=O)NC(C(C)C)C(=O)O)N
• IUPAC Name: 2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid
• InChIKey: MDSUKZSLOATHMH-UHFFFAOYSA-N
• INCHI: 1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)
• Isomeric SMILES: CC(C)CC(C(=O)NC(C(C)C)C(=O)O)N
• Molecular Weight: 230.3
• Reaxy-Rn: 3949528
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3949528&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 Valine and derivatives N-acyl-alpha amino acids Alpha amino acid amides Methyl-branched fatty acids N-acyl amines Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - Leucine or derivatives - N-acyl-alpha-amino acid - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Branched fatty acid - Methyl-branched fatty acid - N-acyl-amine - Fatty amide - Fatty acid - Fatty acyl - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - 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: 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: 230.300 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 230.163 Da
• Monoisotopic Mass: 230.163 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 252.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1