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Substance Name: BQ 485
RN: 141594-26-5
InChIKey: ZBJNAHVLKNFOPP-GAGJGVLVSA-N

Note

  • An endothelin ET(A)receptor antagonist.

Molecular Formula

  • C35-H44-N6-O5

Molecular Weight

  • 628.77
 
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Names and Synonyms

Name of Substance

  • BQ 485

Synonyms

  • BQ-485
  • N-(N-(N-((Hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl)-D-tryptophyl)-D-tryptophan
  • Perhydroazepin-1-yl leucyl-tryptophyl-tryptophan
  • Perhydroazepin-1-yl-leu-trp-trp

Systematic Name

  • D-Tryptophan, N-(N-(N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl)-D-tryptophyl)-

Registry Numbers

CAS Registry Number

  • 141594-26-5

System Generated Number

  • 0141594265

Structure Descriptors

InChI

1S/C35H44N6O5/c1-22(2)17-29(40-35(46)41-15-9-3-4-10-16-41)32(42)38-30(18-23-20-36-27-13-7-5-11-25(23)27)33(43)39-31(34(44)45)19-24-21-37-28-14-8-6-12-26(24)28/h5-8,11-14,20-22,29-31,36-37H,3-4,9-10,15-19H2,1-2H3,(H,38,42)(H,39,43)(H,40,46)(H,44,45)/t29-,30?,31+/m0/s1

InChIKey

ZBJNAHVLKNFOPP-GAGJGVLVSA-N

Smiles

C(N[C@H](C(N[C@@H](C(N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2)=O)Cc1c[nH]c2c1cccc2)=O)CC(C)C)(N1CCCCCC1)=O