Chloroacetylglycylglycine - ≥95% , CAS No.15474-96-1

CAS: 15474-96-1 Cat. No.: C153702 Molecular Weight: 208.60

GRADE & PURITY ≥95%

Synonyms

Glycine, N-[N-(chloroacetyl)glycyl]- | D89196 | N-Chloroacetylglycylglycine | NCOXSGKCQMMTRX-UHFFFAOYSA-N | Glycine, N-(N-(chloroacetyl)glycyl)- | SCHEMBL5519639 | Chloracetylglycylglycin | BS-23498 | ({[(chloroacetyl)amino]acetyl}amino)acetic acid | AKOS

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Glycine, N-[N-(chloroacetyl)glycyl]- | D89196 | N-Chloroacetylglycylglycine | NCOXSGKCQMMTRX-UHFFFAOYSA-N | Glycine, N-(N-(chloroacetyl)glycyl)- | SCHEMBL5519639 | Chloracetylglycylglycin | BS-23498 | ({[(chloroacetyl)amino]acetyl}amino)acetic acid | AKOS

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(C(=O)NCC(=O)O)NC(=O)CCl
• IUPAC Name: 2-[[2-[(2-chloroacetyl)amino]acetyl]amino]acetic acid
• InChIKey: NCOXSGKCQMMTRX-UHFFFAOYSA-N
• INCHI: 1S/C6H9ClN2O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3H2,(H,8,10)(H,9,11)(H,12,13)
• Isomeric SMILES: C(C(=O)NCC(=O)O)NC(=O)CCl
• Molecular Weight: 208.60
• Reaxy-Rn: 1788658
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1788658&ln=

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 Alpha amino acid amides Chloroacetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Chloroacetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aliphatic acyclic 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive；air sensitive
• Melt Point(°C): 179°C(lit.)
• Molecular Weight: 208.600 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.025 Da
• Monoisotopic Mass: 208.025 Da
• Topological Polar Surface Area: 95.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 219.000
• 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