Sch 29482 - Moligand™ , CAS No.77646-83-4

CAS: 77646-83-4 Cat. No.: S613488 PubChem CID: 3035195

GRADE & PURITY Moligand™

Synonyms

(5R)-3-ethylsulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid|SCHEMBL10402586|GTPL11031|DTXSID10228293

Storage

Room temperature

Specifications

同義語

(5R)-3-ethylsulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | SCHEMBL10402586 | GTPL11031 | DTXSID10228293

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

名前と識別子

• カノニカル・スマイル: CCSC1=C(C(=O)O)N2[C@H](S1)C(C2=O)C(O)C
• IUPAC Name: (5R)-3-ethylsulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• InChIKey: LDVDKTLZRGWFID-MPKXYMLHSA-N
• INCHI: 1S/C10H13NO4S2/c1-3-16-10-6(9(14)15)11-7(13)5(4(2)12)8(11)17-10/h4-5,8,12H,3H2,1-2H3,(H,14,15)/t4?,5?,8-/m1/s1
• 異性体SMILES: CCSC1=C(N2[C@H](S1)C(C2=O)C(C)O)C(=O)O
• PubChem CID: 3035195

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Penems Thiazolecarboxylic acids and derivatives Vinylogous thioesters Thiazolines Tertiary carboxylic acid amides Azetidines Secondary alcohols Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Thiohemiaminal derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Penem - Thiazolecarboxylic acid or derivatives - Vinylogous thioester - Beta-lactam - Tertiary carboxylic acid amide - Meta-thiazoline - Thiazole - Azetidine - Carboxamide group - Lactam - Secondary alcohol - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Hemithioaminal - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - Aliphatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

よくある質問

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 77646-83-4. InChIKey LDVDKTLZRGWFID-MPKXYMLHSA-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.