Pro-Met - ≥97% , CAS No.52899-08-8

CAS: 52899-08-8 Cat. No.: P1036368 PubChem CID: 7408173

등급 & 순도 ≥97%

Storage

Room temperature

사양

사양 및 순도

≥97%

보관 조건

Room temperature

순수함

≥97%

이름과 식별자

정식 스마일

CSCCC(C(=O)O)NC(=O)C1CCCN1

IUPAC Name

(2S)-4-methylsulfanyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid

InChIKey

MTWJTFBVRDGROD-YUMQZZPRSA-N

INCHI

1S/C10H18N2O3S/c1-16-6-4-8(10(14)15)12-9(13)7-3-2-5-11-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1

이성체 SMILES

CSCC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1

대체 CAS

52899-08-8

PubChem CID

7408173

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Methionine and derivatives Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Pyrrolidinecarboxamides Thia fatty acids Heterocyclic fatty acids Quaternary ammonium salts Secondary carboxylic acid amides Amino acids Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylamines Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - Methionine or derivatives - Proline or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Heterocyclic fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - Pyrrolidine - Quaternary ammonium salt - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Amino acid - Secondary carboxylic acid amide - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Thioether - Azacycle - Secondary amine - Carbonyl group - Organic oxide - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 분자량: 246.330 g/mol
• XLogP3: -3.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 246.104 Da
• Monoisotopic Mass: 246.104 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 260.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% 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 52899-08-8. InChIKey MTWJTFBVRDGROD-YUMQZZPRSA-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.