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Substance Name: FR 139317
RN: 142375-60-8
InChIKey: LIOKMIQQPDDTNO-UPRLRBBYSA-N

Note

  • Endothelin receptor A antagonist.

Molecular Formula

  • C33-H44-N6-O5

Molecular Weight

  • 604.748
 
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Names and Synonyms

Name of Substance

  • FR 139317

Synonyms

  • 2-((1-(Hexahydro-1H-azepinyl)carbonyl)amino-4-methylpentanoyl)-3-(-(1-methyl-1H-indolyl)propionyl)amino-3-(2-pyridyl)propionic acid
  • FR-139317

Systematic Names

  • D-Alanine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-1-methyl-D-tryptophyl-3-(2-pyridinyl)-
  • D-Alanine, N-(N-(N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl)-1-methyl-D-tryptophyl)-3-(2-pyridinyl)-

Registry Numbers

CAS Registry Number

  • 142375-60-8

System Generated Number

  • 0142375608

Structure Descriptors

InChI

1S/C33H44N6O5/c1-22(2)18-26(37-33(44)39-16-10-4-5-11-17-39)30(40)35-27(19-23-21-38(3)29-14-7-6-13-25(23)29)31(41)36-28(32(42)43)20-24-12-8-9-15-34-24/h6-9,12-15,21-22,26-28H,4-5,10-11,16-20H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t26-,27+,28+/m0/s1

InChIKey

LIOKMIQQPDDTNO-UPRLRBBYSA-N

Smiles

c12c(c(C[C@@H](NC([C@@H](NC(=O)N3CCCCCC3)CC(C)C)=O)C(=O)N[C@@H](C(O)=O)Cc3ncccc3)cn2C)cccc1