H-L-Phe-pNA - ≥97% , CAS No.2360-97-6

CAS: 2360-97-6 Cat. No.: H336253 Fórmula: C₁₅H₁₅N₃O₃ Peso molecular: 285.30

GRADE & PURITY ≥97%

Synonyms

GJHIOWXZFDVUKQ-AWEZNQCLSA-N | (2S)-2-amino-N-(4-nitrophenyl)-3-phenylpropanamide | Benzenepropanamide, alpha-amino-N-(4-nitrophenyl)-, (alphaS)- | H-Phe-pNA | MFCD00038110 | L-Phenylalanine-p-nitroanilide | (S)-2-Amino-N-(4-nitrophenyl)-3-phenylpropanamid

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

GJHIOWXZFDVUKQ-AWEZNQCLSA-N | (2S)-2-amino-N-(4-nitrophenyl)-3-phenylpropanamide | Benzenepropanamide, alpha-amino-N-(4-nitrophenyl)-, (alphaS)- | H-Phe-pNA | MFCD00038110 | L-Phenylalanine-p-nitroanilide | (S)-2-Amino-N-(4-nitrophenyl)-3-phenylpropanamid

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504764754

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764754

Sorrisos canónicos

C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

IUPAC Name

(2S)-2-amino-N-(4-nitrophenyl)-3-phenylpropanamide

InChIKey

GJHIOWXZFDVUKQ-AWEZNQCLSA-N

INCHI

1S/C15H15N3O3/c16-14(10-11-4-2-1-3-5-11)15(19)17-12-6-8-13(9-7-12)18(20)21/h1-9,14H,10,16H2,(H,17,19)/t14-/m0/s1

SMILES isoméricas

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

Peso molecular

285.30

Reaxy-Rn

2222765

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2222765&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Alpha amino acid amides Amphetamines and derivatives Anilides Nitrobenzenes Nitroaromatic compounds N-arylamides Aralkylamines Fatty amides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Carbonyl compounds Organic zwitterions Organic salts Hydrocarbon derivatives Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Primary aliphatic amine - Amine - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: n20D~1.66 (Predicted)
• Peso molecular: 285.300 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 285.111 Da
• Monoisotopic Mass: 285.111 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 356.000
• 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