Ac-Met-OMe - ≥97% , CAS No.35671-83-1

CAS: 35671-83-1 Cat. No.: A588860 Summenformel: C₈H₁₅NO₃S Molekulargewicht: 205.28 EG-Nummer: 845-264-5

GRADE & PURITY ≥97%

Synonyms

Methyl 2-(acetylamino)-4-(methylsulfanyl)butanoate # | METHYL (2S)-2-ACETAMIDO-4-(METHYLSULFANYL)BUTANOATE | methyl (2S)-2-acetamido-4-methylsulfanylbutanoate | MFCD00038235 | N-Acetyl-L-methionine methyl ester | CCRIS 5538 | AKOS015908060 | YVMKSJIMTATAA

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Methyl 2-(acetylamino)-4-(methylsulfanyl)butanoate # | METHYL (2S)-2-ACETAMIDO-4-(METHYLSULFANYL)BUTANOATE | methyl (2S)-2-acetamido-4-methylsulfanylbutanoate | MFCD00038235 | N-Acetyl-L-methionine methyl ester | CCRIS 5538 | AKOS015908060 | YVMKSJIMTATAA

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528766002

Kanonisches Lächeln

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

IUPAC Name

methyl (2S)-2-acetamido-4-methylsulfanylbutanoate

InChIKey

YVMKSJIMTATAAS-ZETCQYMHSA-N

INCHI

1S/C8H15NO3S/c1-6(10)9-7(4-5-13-3)8(11)12-2/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m0/s1

Isomere SMILES

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

Molekulargewicht

205.28

Reaxy-Rn

1725461

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725461&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Methionine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Methionine and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid esters Fatty acid esters Methyl esters Acetamides Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methionine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Fatty acid ester - Fatty acyl - Acetamide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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: 205.280 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 205.077 Da
• Monoisotopic Mass: 205.077 Da
• Topological Polar Surface Area: 80.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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