D-Val-Leu-Arg p-nitroanilide diacetate salt - ≥95%(HPLC) , CAS No.64816-14-4(FREE BASE)

CAS: 64816-14-4(FREE BASE) Cat. No.: V121348 Molecular Weight: 626.7

GRADE & PURITY ≥95%(HPLC)

Synonyms

DTXSID10215108 | D-Valyl-leucyl-arginine-p-nitroanilide | HY-114150 | (2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-4-methylpentanamide | H-D-Val-Leu-Arg p-nitroanilide | D-Val-Leu-A

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Amino Acid Sequence Val-Leu-Arg-pNA

D-Val-Leu-Arg p-nitroanilide diacetate salt has been used as a substrate to determine the amidolytic activity of the fibrinolytic enzyme from Bacillus subtilis DC33. It has also been used as a substrate to determine the activity of fibrinolytic enzymes from the earthworm Eisenia fetida.

Specifications

Synonyms

DTXSID10215108 | D-Valyl-leucyl-arginine-p-nitroanilide | HY-114150 | (2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-4-methylpentanamide | H-D-Val-Leu-Arg p-nitroanilide | D-Val-Leu-A

Specifications & Purity

≥95%(HPLC)

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.

Purity

≥95%(HPLC)

Names and Identifiers

• Canonical Smiles: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(C(C)C)N
• IUPAC Name: (2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-4-methylpentanamide
• InChIKey: ZNKZJCICBFSACN-GBESFXJTSA-N
• INCHI: 1S/C23H38N8O5/c1-13(2)12-18(30-22(34)19(24)14(3)4)21(33)29-17(6-5-11-27-23(25)26)20(32)28-15-7-9-16(10-8-15)31(35)36/h7-10,13-14,17-19H,5-6,11-12,24H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)(H4,25,26,27)/t17-,18-,19+/m0/s1
• Isomeric SMILES: CC(C)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](C(C)C)N
• WGK Germany: 3
• Molecular Weight: 626.7

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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 506.600 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 506.297 Da
• Monoisotopic Mass: 506.297 Da
• Topological Polar Surface Area: 224.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 771.000
• 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