Tyr-Lys - ≥95% , CAS No.54925-88-1

CAS: 54925-88-1 Cat. No.: T1030519 Molecular Weight: 309.36 PubChem CID: 7021830

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1CC(C(=O)NC(CCCCN)C(=O)O)N)O
• IUPAC Name: (2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
• InChIKey: AOLHUMAVONBBEZ-STQMWFEESA-N
• INCHI: 1S/C15H23N3O4/c16-8-2-1-3-13(15(21)22)18-14(20)12(17)9-10-4-6-11(19)7-5-10/h4-7,12-13,19H,1-3,8-9,16-17H2,(H,18,20)(H,21,22)/t12-,13-/m0/s1
• Isomeric SMILES: C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N)O
• Alternate CAS: 54925-88-1
• PubChem CID: 7021830
• MeSH Entry Terms: Tyr-Lys;tyrosyl-lysine;tyrosyllysine
• Molecular Weight: 309.36

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: Tyrosine and derivatives Phenylalanine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Amphetamines and derivatives Medium-chain fatty acids 1-hydroxy-2-unsubstituted benzenoids Amino fatty acids Aralkylamines Hydroxy fatty acids Fatty amides Amino acids Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-dipeptide - Tyrosine or derivatives - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Amphetamine or derivatives - Medium-chain fatty acid - 1-hydroxy-2-unsubstituted benzenoid - Amino fatty acid - Phenol - Hydroxy fatty acid - Aralkylamine - Benzenoid - Fatty acid - Fatty acyl - Fatty amide - Monocyclic benzene moiety - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic 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: 309.360 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 309.169 Da
• Monoisotopic Mass: 309.169 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 357.000
• 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