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Substance Name: Cys(11)-Cys(15)-endothelin-1 (11-21)
RN: 144602-02-8
InChIKey: OETKRDJJNWJFOP-PFAVPODXSA-N

Note

  • Antagonist of endothelin B receptor.

Molecular Formula

  • C68-H92-N14-O15-S2

Molecular Weight

  • 1409.69
 
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Names and Synonyms

Name of Substance

  • Cys(11)-cys(15)-endothelin-1 (11-21)

Synonyms

  • Cys(11)-cys(15)-endothelin-1 (11-21)
  • Endothelin-1 (11-21), cys(11)-cys(15)-
  • Endothelin-1(11-21), cysteinyl(11)-cysteine(15)-
  • Irl-1038

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-de-L-leucine-7-de-L-methionine-8-de-L-aspartic acid-9-de-L-lysine-10-de-L-glutamic acid-, cyclic (11-15)-disulfide

Registry Numbers

CAS Registry Number

  • 144602-02-8

System Generated Number

  • 0144602028

Structure Descriptors

InChI

1S/C68H92N14O15S2/c1-9-37(7)56(66(94)78-52(68(96)97)27-41-30-71-46-19-15-14-18-44(41)46)82-67(95)57(38(8)10-2)81-63(91)51(29-54(84)85)76-59(87)47(24-35(3)4)73-62(90)50(28-42-31-70-34-72-42)75-64(92)53-33-99-98-32-45(69)58(86)80-55(36(5)6)65(93)77-49(26-40-20-22-43(83)23-21-40)60(88)74-48(61(89)79-53)25-39-16-12-11-13-17-39/h11-23,30-31,34-38,45,47-53,55-57,71,83H,9-10,24-29,32-33,69H2,1-8H3,(H,70,72)(H,73,90)(H,74,88)(H,75,92)(H,76,87)(H,77,93)(H,78,94)(H,79,89)(H,80,86)(H,81,91)(H,82,95)(H,84,85)(H,96,97)/t37-,38-,45-,47-,48-,49?,50-,51-,52-,53?,55-,56-,57-/m0/s1

InChIKey

OETKRDJJNWJFOP-PFAVPODXSA-N

Smiles

N1C([C@H](CSSC[C@@H](NC([C@@H](NC([C@@H](NC([C@@H]1C(C)C)=O)Cc1ccc(cc1)O)=O)Cc1ccccc1)=O)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](CC)C)=O)[C@H](CC)C)=O)CC(=O)O)=O)CC(C)C)=O)Cc1[nH]cnc1)=O)N)=O