PL37 - Moligand™ , CAS No.P612861

CAS: P612861 Cat. No.: P612861 PubChem CID: 16123252

CALIDAD & PUREZA Moligand™

Synonyms

19-IIIa;Debio 0827;Debio-0827

Storage

Room temperature

Especificaciones

Sinónimos

19-IIIa;Debio 0827;Debio-0827

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

AGONIST

Nombres e identificadores

Sonrisas canónicas

CSCCC(CSSCC(C(=O)NCC(=O)OC(OC(=O)OCC)C)Cc1ccccc1)N

IUPAC Name

1-ethoxycarbonyloxyethyl 2-[[2-[(2-amino-4-methylsulfanylbutyl)disulfanylmethyl]-3-phenylpropanoyl]amino]acetate

InChIKey

BJCNUZJDFWFVBY-UHFFFAOYSA-N

INCHI

1S/C22H34N2O6S3/c1-4-28-22(27)30-16(2)29-20(25)13-24-21(26)18(12-17-8-6-5-7-9-17)14-32-33-15-19(23)10-11-31-3/h5-9,16,18-19H,4,10-15,23H2,1-3H3,(H,24,26)

Isómeros SMILES

CCOC(=O)OC(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)CSSCC(CCSC)N

PubChem CID

16123252

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Alpha amino acid esters Benzene and substituted derivatives Carbonic acid diesters Fatty amides Secondary carboxylic acid amides Dialkyldisulfides Carboxylic acid esters Sulfenyl compounds Acetals Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Monocyclic benzene moiety - Carbonic acid diester - Fatty amide - Benzenoid - Fatty acyl - Carboxamide group - Carboxylic acid ester - Carbonic acid derivative - Organic disulfide - Secondary carboxylic acid amide - Dialkyldisulfide - Dialkylthioether - Sulfenyl compound - Thioether - Acetal - Monocarboxylic acid or derivatives - Organosulfur compound - Hydrocarbon derivative - Amine - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Primary amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• 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

Preguntas frecuentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

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

The CAS Number is P612861. InChIKey BJCNUZJDFWFVBY-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.