Malonomicin - ≥95% , CAS No.38249-71-7

CAS: 38249-71-7 Cat. No.: M980095 PubChem CID: 54684011

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Aktionsart

INHIBITOR

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C(C1C(=C(C(=O)N1)C(=O)CC(C(=O)O)(C(=O)O)NC(=O)C(CO)N)O)N
• IUPAC Name: 2-[(2-amino-3-hydroxypropanoyl)amino]-2-[2-[2-(aminomethyl)-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl]-2-oxoethyl]propanedioic acid
• InChIKey: IPQOAJQXCZEYLK-UHFFFAOYSA-N
• INCHI: 1S/C13H18N4O9/c14-2-5-8(20)7(10(22)16-5)6(19)1-13(11(23)24,12(25)26)17-9(21)4(15)3-18/h4-5,18,20H,1-3,14-15H2,(H,16,22)(H,17,21)(H,23,24)(H,25,26)
• Isomere SMILES: C(C1C(=C(C(=O)N1)C(=O)CC(C(=O)O)(C(=O)O)NC(=O)C(CO)N)O)N
• Alternative CAS-Nummer: 38249-71-7
• PubChem CID: 54684011

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Peptides
          • Ebene6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Gamma-keto acids and derivatives Short-chain keto acids and derivatives Branched fatty acids Heterocyclic fatty acids Hydroxy fatty acids Dicarboxylic acids and derivatives Vinylogous acids Pyrrolines Secondary carboxylic acid amides Amino acids Lactams Ketones Enols Carboxylic acids Azacyclic compounds Organic oxides Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - Alpha-amino acid or derivatives - Gamma-keto acid - Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Short-chain keto acid - Dicarboxylic acid or derivatives - Keto acid - Fatty acyl - Pyrroline - Vinylogous acid - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Ketone - Lactam - Organoheterocyclic compound - Carboxylic acid - Enol - Azacycle - Organic nitrogen compound - Organic oxide - Primary alcohol - Alcohol - Primary amine - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Primary aliphatic amine - Aliphatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 374.300 g/mol
• XLogP3: -9.100
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 374.107 Da
• Monoisotopic Mass: 374.107 Da
• Topological Polar Surface Area: 242.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 673.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 38249-71-7. InChIKey IPQOAJQXCZEYLK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.