Acetyl-L-methionine alpha-naphthyl ester - ≥95% , CAS No.69975-69-5

CAS: 69975-69-5 Cat. No.: A354264 Peso molecular: 317.4 PubChem CID: 125816

GRADE & PURITY ≥95%

Synonyms

N-acetyl-l-methionine-1-naphthylester | N-Acetylmethionine alpha-naphthyl ester | Ac-Methionine-alpha-naphthyl ester | Ac-Met-alpha-naphthyl ester | L-Methionine, N-acetyl-, 1-naphthalenyl ester | naphthalen-1-yl (2S)-2-acetamido-4-(methylsulfanyl)butanoa

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-acetyl-l-methionine-1-naphthylester | N-Acetylmethionine alpha-naphthyl ester | Ac-Methionine-alpha-naphthyl ester | Ac-Met-alpha-naphthyl ester | L-Methionine, N-acetyl-, 1-naphthalenyl ester | naphthalen-1-yl (2S)-2-acetamido-4-(methylsulfanyl)butanoa

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488187789
• Sonrisas canónicas: CC(=O)NC(CCSC)C(=O)OC1=CC=CC2=CC=CC=C21
• IUPAC Name: naphthalen-1-yl (2S)-2-acetamido-4-methylsulfanylbutanoate
• InChIKey: FGHRSVXVKOEYHM-HNNXBMFYSA-N
• INCHI: 1S/C17H19NO3S/c1-12(19)18-15(10-11-22-2)17(20)21-16-9-5-7-13-6-3-4-8-14(13)16/h3-9,15H,10-11H2,1-2H3,(H,18,19)/t15-/m0/s1
• Isómeros SMILES: CC(=O)N[C@@H](CCSC)C(=O)OC1=CC=CC2=CC=CC=C21
• PubChem CID: 125816
• Peso molecular: 317.4

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 Methionine 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: Methionine and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid esters Naphthalenes Fatty acid esters Acetamides Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Methionine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Naphthalene - Fatty acid ester - Fatty acyl - Benzenoid - Acetamide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 317.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 317.109 Da
• Monoisotopic Mass: 317.109 Da
• Topological Polar Surface Area: 80.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 388.000
• 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