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Substance Name: IRL 1620
RN: 142569-99-1
UNII: 11X778QIZS
InChIKey: DXPHNGAMYPPTBJ-TZMIJSMNSA-N

Note

  • A potent, specific ligand for the endothelin-B receptor.

Molecular Formula

  • C86-H117-N17-O27

Molecular Weight

  • 1820.96
 
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Names and Synonyms

Name of Substance

  • IRL 1620

Synonyms

  • Endothelin-1 (8-21), succinyl-(glu(9),ala(11,15))-
  • Irl-1620
  • Succinyl-(glu(9),ala(11,15))-endothelin-1 (8-21)
  • Succinyl-(glutamyl(9)-alanyl(11,15))-endothelin-1 (8-21)
  • UNII-11X778QIZS

Systematic Name

  • L-Tryptophan, N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alanyl-L-valyl-L-tyrosyl-L-tyrosyl-L-alanyl-L-histidyl-L-leucyl-L-alpha-aspartyl-L-isoleucyl-L-isoleucyl-

Registry Numbers

CAS Registry Number

  • 142569-99-1

FDA UNII

  • 11X778QIZS

System Generated Number

  • 0142569991

Structure Descriptors

InChI

1S/C86H117N17O27/c1-11-44(7)71(84(127)100-63(86(129)130)35-50-39-88-54-21-17-16-20-53(50)54)103-85(128)72(45(8)12-2)102-82(125)62(38-69(114)115)98-78(121)57(32-42(3)4)96-80(123)60(36-51-40-87-41-89-51)95-73(116)46(9)91-77(120)58(33-48-18-14-13-15-19-48)97-79(122)59(34-49-22-24-52(104)25-23-49)99-83(126)70(43(5)6)101-74(117)47(10)90-75(118)55(26-29-65(106)107)93-76(119)56(27-30-66(108)109)94-81(124)61(37-68(112)113)92-64(105)28-31-67(110)111/h13-25,39-47,55-63,70-72,88,104H,11-12,26-38H2,1-10H3,(H,87,89)(H,90,118)(H,91,120)(H,92,105)(H,93,119)(H,94,124)(H,95,116)(H,96,123)(H,97,122)(H,98,121)(H,99,126)(H,100,127)(H,101,117)(H,102,125)(H,103,128)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,129,130)/t44-,45-,46-,47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,70-,71-,72-/m0/s1

InChIKey

DXPHNGAMYPPTBJ-TZMIJSMNSA-N

Smiles

c1(c2ccccc2[nH]c1)C[C@@H](C(O)=O)NC(=O)[C@@H](NC([C@H]([C@H](CC)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC([C@H](C)NC([C@H](Cc1ccccc1)NC([C@@H](NC([C@H](C(C)C)NC(=O)[C@H](C)NC([C@H](CCC(O)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(O)=O)=O)=O)Cc1ccc(cc1)O)=O)=O)=O)Cc1cnc[nH]1)=O)[C@@H](C)CC