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Substance Name: S 2613
RN: 84272-64-0
InChIKey: RMPZEGFRAXPBPF-KXDOSHFCSA-N

Note

  • Luminogenic peptide substrate.

Molecular Formula

  • C37-H57-N11-O9

Molecular Weight

  • 799.925
 
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Names and Synonyms

Name of Substance

  • S 2613

Synonyms

  • Boc-ile-glu-piperidyl-gly-arg-isoluminol
  • S-2613
  • tert-Butyloxycarbonyl-isoleucyl-glutamyl-gamma-piperidyl-glycyl-arginyl-isoluminol

Systematic Name

  • L-Argininamide, N-((1,1-dimethylethoxy)carbonyl)-L-isoleucyl-5-oxo-5-(1-piperidinyl)-L-norvalylglycyl-N-(1,2,3,4-tetrahydro-1,4-dioxo-6-phthalazinyl)-

Registry Numbers

CAS Registry Number

  • 84272-64-0

System Generated Number

  • 0084272640

Structure Descriptors

InChI

1S/C37H57N11O9/c1-6-21(2)29(44-36(56)57-37(3,4)5)34(55)48(28(50)20-42-32(53)25(38)14-15-27(49)47-17-8-7-9-18-47)33(54)26(11-10-16-41-35(39)40)43-22-12-13-23-24(19-22)31(52)46-45-30(23)51/h12-13,19,21,25-26,29,43H,6-11,14-18,20,38H2,1-5H3,(H,42,53)(H,44,56)(H,45,51)(H,46,52)(H4,39,40,41)/t21-,25-,26-,29-/m0/s1

InChIKey

RMPZEGFRAXPBPF-KXDOSHFCSA-N

Smiles

C([C@@H](Nc1cc2c([nH][nH]c(c2cc1)=O)=O)CCCNC(=N)N)(=O)N(C(CNC([C@@H](N)CCC(N1CCCCC1)=O)=O)=O)C([C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C)=O