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Substance Name: Hoe k86-4321
RN: 103412-36-8
InChIKey: ULGMPJSHNJQEJC-CVKAGBTOSA-N

Note

  • Bradykinin antagonist.

Molecular Formula

  • C56-H83-N19-O13-S2

Molecular Weight

  • 1294.52
 
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Names and Synonyms

Name of Substance

  • Hoe k86-4321

Synonyms

  • 1-Arginyl-2-hydroxyprolyl-5-(2-thienyl)alanyl-7-phenylalanyl-8-(2-thienyl)alanyl-bradykinin
  • 2-Hyp-5,8-(thi-ala)-7-phe-bradykinin
  • Ahtp-BK
  • Arg-hyp-pro-gly-thi-ser-phe-thi-arg
  • Arginyl-hydroxyprolyl-prolyl-glycyl-(2-thienyl)alanyl-seryl-phenylalanyl-2-(thienyl)alanyl-arginine
  • Bradykinin, arg-hyp(2)-(thi-ala)(5,8)-phe(7)-
  • Bradykinin, hydroxyprolyl(2)-thienylalanyl(5,8)-phenylalanine(7)-
  • Hoe-k86-4321

Systematic Name

  • L-Arginine, N2-(N-(N-(N-(N-(N-(1-(1-(N2-D-arginyl-L-arginyl)-trans-4-hydroxy-L-prolyl)-L-prolyl)glycyl)-3-(2-thienyl)-L-alanyl)-L-seryl)-D-phenylalanyl)-3-(2-thienyl)-L-alanyl)-

Registry Numbers

CAS Registry Number

  • 103412-36-8

System Generated Number

  • 0103412368

Structure Descriptors

InChI

1S/C56H83N19O13S2/c57-35(14-4-18-64-54(58)59)45(79)69-36(15-5-19-65-55(60)61)51(85)75-29-32(77)25-43(75)52(86)74-21-7-17-42(74)50(84)67-28-44(78)68-39(26-33-12-8-22-89-33)47(81)73-41(30-76)49(83)71-38(24-31-10-2-1-3-11-31)46(80)72-40(27-34-13-9-23-90-34)48(82)70-37(53(87)88)16-6-20-66-56(62)63/h1-3,8-13,22-23,32,35-43,76-77H,4-7,14-21,24-30,57H2,(H,67,84)(H,68,78)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H,87,88)(H4,58,59,64)(H4,60,61,65)(H4,62,63,66)/t32-,35-,36+,37+,38-,39+,40+,41+,42+,43?/m1/s1

InChIKey

ULGMPJSHNJQEJC-CVKAGBTOSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC(CNC([C@H]1N(CCC1)C([C@H]1N(C[C@@H](C1)O)C([C@@H](NC([C@H](N)CCCNC(=N)N)=O)CCCNC(=N)N)=O)=O)=O)=O)Cc1cccs1)=O)CO)=O)Cc1ccccc1)=O)Cc1cccs1)=O)CCCNC(=N)N)(=O)O