H-Gly-D-Gln-OH - ≥97% , CAS No.115588-13-1

CAS: 115588-13-1 Cat. No.: H1298329 PubChem CID: 7020053

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C(CC(=O)N)C(C(=O)O)NC(=O)CN
• IUPAC Name: (2R)-5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoic acid
• InChIKey: PNMUAGGSDZXTHX-SCSAIBSYSA-N
• INCHI: 1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m1/s1
• Isomeric SMILES: C(CC(=O)N)[C@H](C(=O)O)NC(=O)CN
• PubChem CID: 7020053

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: Glutamine and derivatives N-acyl-alpha amino acids Alpha amino acid amides Fatty acids and conjugates Fatty amides Quaternary ammonium salts Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds Organic salts Organic zwitterions
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha peptide - Glutamine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Fatty acyl - Fatty acid - Fatty amide - Quaternary ammonium salt - Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• 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: 203.200 g/mol
• XLogP3: -4.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 203.091 Da
• Monoisotopic Mass: 203.091 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 241.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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