N-Acetylglycylleucine - ≥95% , CAS No.29852-55-9

CAS: 29852-55-9 Cat. No.: B300698 Molecular Weight: 230.26

GRADE & PURITY ≥95%

Synonyms

Ac-Gly-Leu-OH|29852-55-9|(2S)-2-[(2-acetamidoacetyl)amino]-4-methylpentanoic acid|N-ACETYLGLYCYL-L-LEUCINE|SCHEMBL468911|CHEMBL301700|MFCD00038303|AKOS010401789|EN300-1002674|(S)-2-(2-Acetamidoacetamido)-4-methylpentanoic acid|(2S)-2-(2-ACETAMIDOACETAMIDO

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Ac-Gly-Leu-OH | 29852-55-9 | (2S)-2-[(2-acetamidoacetyl)amino]-4-methylpentanoic acid | N-ACETYLGLYCYL-L-LEUCINE | SCHEMBL468911 | CHEMBL301700 | MFCD00038303 | AKOS010401789 | EN300-1002674 | (S)-2-(2-Acetamidoacetamido)-4-methylpentanoic acid | (2S)-2-(2-ACETAMIDOACETAMIDO

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)CC(C(=O)O)NC(=O)CNC(=O)C
• IUPAC Name: (2S)-2-[(2-acetamidoacetyl)amino]-4-methylpentanoic acid
• InChIKey: QXMNNNAFUOZTQZ-QMMMGPOBSA-N
• INCHI: 1S/C10H18N2O4/c1-6(2)4-8(10(15)16)12-9(14)5-11-7(3)13/h6,8H,4-5H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t8-/m0/s1
• Isomeric SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)CNC(=O)C
• Molecular Weight: 230.26
• Reaxy-Rn: 1728342
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1728342&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: Leucine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Methyl-branched fatty acids Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - Leucine or derivatives - N-acyl-l-alpha-amino acid - 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 - Branched fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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

• Molecular Weight: 230.260 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 230.127 Da
• Monoisotopic Mass: 230.127 Da
• Topological Polar Surface Area: 95.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 276.000
• 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