Homoglutathione - ≥95% , CAS No.18710-27-5

CAS: 18710-27-5 Cat. No.: H1026688 Molecular Weight: 321.35 PubChem CID: 440380

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(CC(=O)NC(CS)C(=O)NCCC(=O)O)C(C(=O)O)N
• IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(2-carboxyethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
• InChIKey: HKBNQXMLSMKLJV-BQBZGAKWSA-N
• INCHI: 1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
• Isomeric SMILES: C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@@H](C(=O)O)N
• PubChem CID: 440380
• Molecular Weight: 321.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: Dipeptides Glutamine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Cysteine and derivatives Beta amino acids and derivatives L-alpha-amino acids N-acyl amines Fatty acids and conjugates Dicarboxylic acids and derivatives Secondary carboxylic acid amides Amino acids Alkylthiols Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hybrid peptide - Alpha-dipeptide - Glutamine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - Beta amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Fatty amide - N-acyl-amine - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Amino acid - Carboxylic acid derivative - Alkylthiol - Carboxylic acid - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
• External Descriptors: gamma-glutamylcysteine

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: 321.350 g/mol
• XLogP3: -4.600
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 321.099 Da
• Monoisotopic Mass: 321.099 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 403.000
• 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