gamma-Glutamylhistidine - ≥98% , CAS No.37460-15-4

CAS: 37460-15-4 Cat. No.: G1023862 PubChem CID: 7017195

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=C(NC=N1)CC(C(=O)O)NC(=O)CCC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-5-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-5-oxopentanoic acid
• InChIKey: PXVCMZCJAUJLJP-YUMQZZPRSA-N
• INCHI: 1S/C11H16N4O5/c12-7(10(17)18)1-2-9(16)15-8(11(19)20)3-6-4-13-5-14-6/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t7-,8-/m0/s1
• Isomeric SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
• Alternate CAS: 37460-15-4
• PubChem CID: 7017195

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: Gamma-glutamyl amino acids Histidine and derivatives Glutamine and derivatives N-acyl-L-alpha-amino acids L-alpha-amino acids Imidazolyl carboxylic acids and derivatives Dicarboxylic acids and derivatives N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azacyclic compounds Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - Gamma-glutamyl alpha-amino acid - Histidine or derivatives - Glutamine or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Imidazolyl carboxylic acid derivative - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Heteroaromatic compound - Azole - Imidazole - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Primary amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Primary aliphatic amine - Carbonyl group - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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: 284.270 g/mol
• XLogP3: -4.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 284.112 Da
• Monoisotopic Mass: 284.112 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 376.000
• 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