Thr-Met , CAS No.90729-28-5

CAS: 90729-28-5 Cat. No.: T1307832 PubChem CID: 7020165

Storage

Room temperature

Shipped In

Normal

Specifications

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Noms et identifiants

Sourires canoniques

CC(C(C(=O)NC(CCSC)C(=O)O)N)O

IUPAC Name

(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoic acid

InChIKey

APIDTRXFGYOLLH-VQVTYTSYSA-N

INCHI

1S/C9H18N2O4S/c1-5(12)7(10)8(13)11-6(9(14)15)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1

Isomères SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N)O

CAS alternatif

90729-28-5

PubChem CID

7020165

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Methionine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Thia fatty acids Hydroxy fatty acids N-acyl amines Secondary carboxylic acid amides Secondary alcohols Amino acids Carboxylic acid salts Sulfenyl compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic salts Organic oxides Monoalkylamines Organic zwitterions
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - Methionine 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 - Hydroxy fatty acid - Thia fatty acid - Fatty amide - N-acyl-amine - Fatty acid - Fatty acyl - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid salt - Amino acid - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Alcohol - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Amine - Organic zwitterion - Organic salt - Organic nitrogen 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: dipeptide

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

Propriétés chimiques et physiques

• Poids moléculaire: 250.320 g/mol
• XLogP3: -3.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 250.099 Da
• Monoisotopic Mass: 250.099 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 250.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 90729-28-5. InChIKey APIDTRXFGYOLLH-VQVTYTSYSA-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.