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Substance Name: PPACK
RN: 71142-71-7
UNII: N62UL02WW4
InChIKey: KWPACVJPAFGBEQ-IKGGRYGDSA-N

Note

  • Selective affinity label for thrombin.

Molecular Formula

  • C21-H31-Cl-N6-O3

Molecular Weight

  • 450.9679
 

Classification Codes

  • Cysteine Proteinase Inhibitors
  • Enzyme Inhibitors
  • Protease Inhibitors
  • Serine Proteinase Inhibitors
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Names and Synonyms

Name of Substance

  • Phenylalanyl-prolyl-arginine methyl chloride
  • PPACK

Synonyms

  • D-Phe-pro-arg CH2Cl
  • D-Phenylalanine-proline-arginine methyl chloride
  • Phe-pro-arg-methyl chloride
  • UNII-N62UL02WW4

Systematic Name

  • L-Prolinamide, D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-(chloroacetyl)butyl)-, (S)-

Registry Numbers

CAS Registry Number

  • 71142-71-7

FDA UNII

  • N62UL02WW4

System Generated Number

  • 0071142717

Structure Descriptors

InChI

1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/t15-,16+,17+/m1/s1

InChIKey

KWPACVJPAFGBEQ-IKGGRYGDSA-N

Smiles

c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)CCl)N