Ala-Ala-Phe p-nitroanilide - ≥98% , CAS No.61043-41-2

CAS: 61043-41-2 Cat. No.: A353935 Molecular Weight: 427.45 PubChem CID: 57358310

GRADE & PURITY ≥98%

Synonyms

Ala-Ala-Phe-pNA | L-Alanyl-L-Alanyl-N-(4-Nitrophenyl)-L-Phenylalaninamide | ALA-ALA-PHEP-NITROANILIDE | L-Alanyl-L-alanyl-N-(4-nitrophenyl)-L-phenylalaninamid

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Product description：

Substrate for chymotrypsin and tripeptidyl peptidases I and II.

Specifications

Synonyms

Ala-Ala-Phe-pNA | L-Alanyl-L-Alanyl-N-(4-Nitrophenyl)-L-Phenylalaninamide | ALA-ALA-PHEP-NITROANILIDE | L-Alanyl-L-alanyl-N-(4-nitrophenyl)-L-phenylalaninamid

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504771577
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771577
• Canonical Smiles: CC(C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-N-(4-nitrophenyl)-3-phenylpropanamide
• InChIKey: RMYMOVDNWWDGFU-DEYYWGMASA-N
• INCHI: 1S/C21H25N5O5/c1-13(22)19(27)23-14(2)20(28)25-18(12-15-6-4-3-5-7-15)21(29)24-16-8-10-17(11-9-16)26(30)31/h3-11,13-14,18H,12,22H2,1-2H3,(H,23,27)(H,24,29)(H,25,28)/t13-,14-,18-/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N
• PubChem CID: 57358310
• Molecular Weight: 427.45

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Phenylalanine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Amphetamines and derivatives Anilides Nitrobenzenes N-arylamides Nitroaromatic compounds Fatty amides Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Amino acid or derivatives - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organooxygen compound - Amine - Organic salt - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organic zwitterion - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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

Chemical and Physical Properties

• Melt Point(°C): 201-207° C
• Molecular Weight: 427.500 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 427.186 Da
• Monoisotopic Mass: 427.186 Da
• Topological Polar Surface Area: 159.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 639.000
• 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