S2160 , CAS No.54799-93-8

CAS: 54799-93-8 Cat. No.: S1441466 PubChem CID: 16219051

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

S2160 is a substrate of Cathepsin B that can be utilized in the calorimetric assay for the measurement of cathepsin B.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
• IUPAC Name: N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
• InChIKey: QQVNCBCBFNWLJX-KCHLEUMXSA-N
• INCHI: 1S/C33H40N8O6/c1-21(2)28(40-31(44)27(20-22-10-5-3-6-11-22)39-29(42)23-12-7-4-8-13-23)32(45)38-26(14-9-19-36-33(34)35)30(43)37-24-15-17-25(18-16-24)41(46)47/h3-8,10-13,15-18,21,26-28H,9,14,19-20H2,1-2H3,(H,37,43)(H,38,45)(H,39,42)(H,40,44)(H4,34,35,36)/t26-,27-,28-/m0/s1
• Isomeric SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
• PubChem CID: 16219051
• MeSH Entry Terms: benzoyl-Phe-Val-Arg-p-nitroanilide;Bz-Phe-Val-Arg-paranitroanilide;BzPheValArgNaN;L-argininamide, N-benzoyl-L-phenylalanyl-L-valyl-N-(4-nitrophenyl)-;N-alpha-benzoyl-L-phenylalanyl-L-valyl-L-arginine-p-nitroanilide;N-benzoyl-L-phenylalanyl-L-valyl-L-argin

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 Valine and derivatives N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives Alpha amino acid amides Amphetamines and derivatives Anilides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds N-arylamides N-acyl amines Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboximidamides Carbonyl compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Phenylalanine or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzamide - Anilide - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - N-arylamide - Benzenoid - Fatty amide - N-acyl-amine - Monocyclic benzene moiety - Fatty acyl - Organic nitro compound - Carboxamide group - Guanidine - Secondary carboxylic acid amide - C-nitro compound - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic zwitterion - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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