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Substance Name: PD 151242
RN: 155561-67-4
InChIKey: JVILFANCFWZBFU-ZGIBFIJWSA-N

Note

  • Endothelin receptor antagonist.

Molecular Formula

  • C34-H45-N5-O6

Molecular Weight

  • 619.758
 
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Names and Synonyms

Name of Substance

  • PD 151242

Synonyms

  • N-((Hexahydro-1-azepinyl)carbonyl)-leu(1-methyl)-trp-trp
  • N-((Hexahydro-1-azepinyl)carbonyl)-leucyl(1-methyl)-tryptophyl-tryptophan
  • N-(N-(N-((Hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl)-1-methyl-D-tryptophyl)-D-tyrosine
  • PD 151,242
  • PD-151242
  • PD151242

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155561-67-4

System Generated Number

  • 0155561674

Structure Descriptors

InChI

1S/C34H45N5O6/c1-22(2)18-27(37-34(45)39-16-8-4-5-9-17-39)31(41)35-28(20-24-21-38(3)30-11-7-6-10-26(24)30)32(42)36-29(33(43)44)19-23-12-14-25(40)15-13-23/h6-7,10-15,21-22,27-29,40H,4-5,8-9,16-20H2,1-3H3,(H,35,41)(H,36,42)(H,37,45)(H,43,44)/t27-,28+,29+/m0/s1

InChIKey

JVILFANCFWZBFU-ZGIBFIJWSA-N

Smiles

C([C@H](NC([C@H](NC([C@@H](NC(=O)N1CCCCCC1)CC(C)C)=O)Cc1cn(c2ccccc12)C)=O)Cc1ccc(O)cc1)(=O)O