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Substance Name: BQ 610
RN: 141595-53-1
InChIKey: QHSRPPJQBFQWSC-OJDZSJEKSA-N

Note

  • Endothelin A receptor antagonist; endothelin-1 antagonist.

Molecular Formula

  • C36-H44-N6-O6

Molecular Weight

  • 656.78
 
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Names and Synonyms

Name of Substance

  • BQ 610

Synonyms

  • BQ-610
  • Hexahydroazepinocarbonyl-leu-D-trp(cho)-D-trp
  • Hexahydroazepinocarbonyl-leucyl-tryptophyl(cho)-tryptophan

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 141595-53-1

System Generated Number

  • 0141595531

Structure Descriptors

InChI

1S/C36H44N6O6/c1-23(2)17-29(40-36(48)41-15-9-3-4-10-16-41)33(44)38-30(19-25-21-42(22-43)32-14-8-6-12-27(25)32)34(45)39-31(35(46)47)18-24-20-37-28-13-7-5-11-26(24)28/h5-8,11-14,20-23,29-31,37H,3-4,9-10,15-19H2,1-2H3,(H,38,44)(H,39,45)(H,40,48)(H,46,47)/t29-,30+,31+/m0/s1

InChIKey

QHSRPPJQBFQWSC-OJDZSJEKSA-N

Smiles

n1(cc(C[C@H](C(N[C@@H](C(=O)O)Cc2c[nH]c3c2cccc3)=O)NC([C@@H](NC(N2CCCCCC2)=O)CC(C)C)=O)c2c1cccc2)C=O