N-p-Tosyl-Gly-Pro-Lys p-nitroanilide acetate salt - ≥98%, plasmin substrate, chromogenic, powder , CAS No.88793-79-7

CAS: 88793-79-7 Cat. No.: N1012793 Molecular Weight: 634.700

GRADE & PURITY ≥98%, plasmin substrate, chromogenic, powder

Storage

Room temperature

Specifications

Specifications & Purity

≥98%, plasmin substrate, chromogenic, powder

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-].CC(=O)O
• IUPAC Name: acetic acid;(2S)-N-[(2S)-6-amino-1-(4-nitroanilino)-1-oxohexan-2-yl]-1-[2-[(4-methylphenyl)sulfonylamino]acetyl]pyrrolidine-2-carboxamide
• InChIKey: KPGSNEYSJPIZCW-SJEIDVEUSA-N
• INCHI: 1S/C26H34N6O7S.C2H4O2/c1-18-7-13-21(14-8-18)40(38,39)28-17-24(33)31-16-4-6-23(31)26(35)30-22(5-2-3-15-27)25(34)29-19-9-11-20(12-10-19)32(36)37;1-2(3)4/h7-14,22-23,28H,2-6,15-17,27H2,1H3,(H,29,34)(H,30,35);1H3,(H,3,4)/t22-,23-;/m0./s1
• Molecular Weight: 634.700

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: Proline and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides P-toluenesulfonamides Benzenesulfonamides Nitrobenzenes Benzenesulfonyl compounds Anilides Pyrrolidinecarboxamides Nitroaromatic compounds N-arylamides N-acylpyrrolidines Organosulfonamides Fatty amides Tertiary carboxylic acid amides Aminosulfonyl compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Alpha-oligopeptide - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - P-toluenesulfonamide - Tosyl compound - Benzenesulfonamide - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Benzenesulfonyl group - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Toluene - Fatty acyl - Benzenoid - Organosulfonic acid amide - Fatty amide - Monocyclic benzene moiety - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic heteromonocyclic 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

• Molecular Weight: 634.700 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 634.242 Da
• Monoisotopic Mass: 634.242 Da
• Topological Polar Surface Area: 242.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3