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Substance Name: BQ 3020
RN: 143113-45-5
InChIKey: NUAGCEFLVCODRQ-KETPNHLCSA-N

Note

  • A novel radioligand, selective for endothelin (ET-B) receptors; endothelin receptor selective agonist.

Molecular Formula

  • C96-H140-N20-O25-S

Molecular Weight

  • 1934.28
 
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Names and Synonyms

Name of Substance

  • BQ 3020

Synonyms

  • BQ-3020
  • N-Acetyl-leu-met-asp-lys-glu-ala-val-tyr-phe-ala-his-leu-asp-ile-ile-trp

Systematic Name

  • Endothelin 1 (pig reduced), 1-de-L-cysteine-2-de-L-serine-3-de-L-cysteine-4-de-L-serine-5-de-L-serine-6-(N-acetyl-L-leucine)-11-L-alanine-15-L-alanine-

Registry Numbers

CAS Registry Number

  • 143113-45-5

System Generated Number

  • 0143113455

Structure Descriptors

InChI

1S/C93H136N20O23S/c1-15-51(9)77(91(133)110-72(93(135)136)40-58-44-96-62-27-21-20-26-61(58)62)113-92(134)78(52(10)16-2)112-89(131)71(43-75(119)120)108-85(127)66(37-49(5)6)105-87(129)69(41-59-45-95-47-98-59)104-79(121)54(12)100-83(125)67(38-56-24-18-17-19-25-56)106-86(128)68(39-57-29-31-60(115)32-30-57)109-90(132)76(50(7)8)111-80(122)53(11)99-73(116)46-97-81(123)63(28-22-23-34-94)102-88(130)70(42-74(117)118)107-82(124)64(33-35-137-14)103-84(126)65(36-48(3)4)101-55(13)114/h17-21,24-27,29-32,44-45,47-54,63-72,76-78,96,115H,15-16,22-23,28,33-43,46,94H2,1-14H3,(H,95,98)(H,97,123)(H,99,116)(H,100,125)(H,101,114)(H,102,130)(H,103,126)(H,104,121)(H,105,129)(H,106,128)(H,107,124)(H,108,127)(H,109,132)(H,110,133)(H,111,122)(H,112,131)(H,113,134)(H,117,118)(H,119,120)(H,135,136)/t51-,52-,53-,54-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,76-,77-,78-/m0/s1

InChIKey

NUAGCEFLVCODRQ-KETPNHLCSA-N

Smiles

N([C@H](C(N[C@H](C(N[C@@H](CC(=O)O)C(=O)N[C@H](C(NCC(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)Cc1c[nH]c2c1cccc2)=O)[C@@H](C)CC)=O)[C@@H](C)CC)=O)CC(=O)O)=O)CC(C)C)=O)Cc1cnc[nH]1)=O)C)=O)Cc1ccccc1)=O)Cc1ccc(cc1)O)=O)C(C)C)C)=O)=O)CCCCN)=O)CCSC)=O)CC(C)C)C(C)=O