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Substance Name: Cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl)
RN: 139346-17-1
InChIKey: HYNSSBPBTFFZKW-OUPFVLIJSA-N

Note

  • Endothelin antagonist selective for the endothelin A receptor; Sal-sulfoalanine.

Molecular Weight

  • 646.762
 
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Names and Synonyms

Name of Substance

  • Cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl)

Synonyms

  • BQ-153
  • c(D-Trp-D-cys(SO3-Na+)-pro-D-val-leu)
  • Cyclo(D-sal-L-pro-D-val-L-leu-D-trp-)
  • Cyclo(sal-pro-val-leu-trp-)
  • Cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl)

Systematic Name

  • Cyclo(3-sulfo-D-alanyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl)

Registry Numbers

CAS Registry Number

  • 139346-17-1

System Generated Number

  • 0139346171

Structure Descriptors

InChI

1S/C30H42N6O8S/c1-17(2)12-24(27(38)33-20(15-37)13-19-14-32-23-9-6-5-8-21(19)23)34-29(40)26(18(3)4)35-28(39)25-10-7-11-36(25)30(41)22(31)16-45(42,43)44/h5-10,14-15,17-18,20,22,24-26,32H,11-13,16,31H2,1-4H3,(H,33,38)(H,34,40)(H,35,39)(H,42,43,44)/t20-,22-,24+,25+,26-/m1/s1

InChIKey

HYNSSBPBTFFZKW-OUPFVLIJSA-N

Smiles

C([C@H](NC([C@@H](NC([C@H](NC([C@H]1N(CC=C1)C([C@H](N)CS(=O)(=O)O)=O)=O)C(C)C)=O)CC(C)C)=O)Cc1c[nH]c2ccccc12)=O