H-Glu-Tyr-Glu-OH - ≥95% , CAS No.32140-46-8

CAS: 32140-46-8 Cat. No.: H1238900 PubChem CID: 49864325

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)N)O
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid
• InChIKey: RXJFSLQVMGYQEL-IHRRRGAJSA-N
• INCHI: 1S/C19H25N3O9/c20-12(5-7-15(24)25)17(28)22-14(9-10-1-3-11(23)4-2-10)18(29)21-13(19(30)31)6-8-16(26)27/h1-4,12-14,23H,5-9,20H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)(H,30,31)/t12-,13-,14-/m0/s1
• Isomeric SMILES: C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)N)O
• PubChem CID: 49864325

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 Oligopeptides

• 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: Oligopeptides
• Alternative Parents: Tyrosine and derivatives Phenylalanine and derivatives Glutamic acid and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Amphetamines and derivatives Tricarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Amino fatty acids Hydroxy fatty acids N-acyl amines Secondary carboxylic acid amides Amino acids Carboxylic acids Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Tyrosine or derivatives - Phenylalanine or derivatives - Glutamic acid 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 - N-substituted-alpha-amino acid - Amphetamine or derivatives - Tricarboxylic acid or derivatives - Hydroxy fatty acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Amino fatty acid - Fatty acyl - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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: 439.400 g/mol
• XLogP3: -5.000
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 439.159 Da
• Monoisotopic Mass: 439.159 Da
• Topological Polar Surface Area: 216.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 662.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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