Methionylglutamic acid - ≥97% , CAS No.14517-44-3

CAS: 14517-44-3 Cat. No.: M1033519 Molecular Weight: 278.33 PubChem CID: 7015689

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CSCCC(C(=O)NC(CCC(=O)O)C(=O)O)N
• IUPAC Name: (2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]pentanedioic acid
• InChIKey: ADHNYKZHPOEULM-BQBZGAKWSA-N
• INCHI: 1S/C10H18N2O5S/c1-18-5-4-6(11)9(15)12-7(10(16)17)2-3-8(13)14/h6-7H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7-/m0/s1
• Isomeric SMILES: CSCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
• PubChem CID: 7015689
• Molecular Weight: 278.33

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: Glutamic acid and derivatives Methionine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Dicarboxylic acids and derivatives N-acyl amines Fatty acids and conjugates Secondary carboxylic acid amides Amino acids Sulfenyl compounds Carboxylic acids Dialkylthioethers Carbonyl compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - Glutamic acid or derivatives - Methionine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acid - Fatty acyl - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Carboxamide group - Sulfenyl compound - Thioether - Dialkylthioether - Carboxylic acid - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Organosulfur compound - Primary 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

Chemical and Physical Properties

• Molecular Weight: 278.330 g/mol
• XLogP3: -3.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 278.094 Da
• Monoisotopic Mass: 278.094 Da
• Topological Polar Surface Area: 155.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 311.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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