H-Gly-Gly-AMC , CAS No.208645-74-3

CAS: 208645-74-3 Cat. No.: H1036351 PubChem CID: 7015852

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CNC(=O)CN
• IUPAC Name: 2-amino-N-[2-[(4-methyl-2-oxochromen-7-yl)amino]-2-oxoethyl]acetamide
• InChIKey: LPLILQIZVFKNJC-UHFFFAOYSA-N
• INCHI: 1S/C14H15N3O4/c1-8-4-14(20)21-11-5-9(2-3-10(8)11)17-13(19)7-16-12(18)6-15/h2-5H,6-7,15H2,1H3,(H,16,18)(H,17,19)
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CNC(=O)CN
• PubChem CID: 7015852

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: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Coumarins and derivatives 1-benzopyrans N-arylamides Pyranones and derivatives Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Coumarin - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - N-arylamide - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactone - Amino acid or derivatives - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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: 289.290 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 289.106 Da
• Monoisotopic Mass: 289.106 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 475.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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