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Substance Name: B 4148
RN: 103412-37-9
InChIKey: HKNHKCVEWPZUNK-SZNSIZNJSA-N

Note

  • Bradykinin inhibitor.

Molecular Weight

  • 1394.68
 
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Names and Synonyms

Name of Substance

  • B 4148

Synonyms

  • B-4148
  • Bradykinin, lys-lys-(hyp(2)-thi(5,8)-phe(7))-
  • Bradykinin, lysyl-lysyl-(hydroxyprolyl(2)-thienyl(5,8)-phenylalanine(7))-
  • Lys-lys-(2-hyp-5,8-thi-7-phe)-bradykinin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 103412-37-9

System Generated Number

  • 0103412379

Structure Descriptors

InChI

1S/C62H95N19O14S2/c63-22-6-4-16-40(65)51(86)77-44(17-5-7-23-64)53(88)76-43(18-8-25-73-60(68)69)50(85)62(21-12-26-74-61(70)71,59(94)95-58(93)46(29-36-13-2-1-3-14-36)78-54(89)47(34-82)79-52(87)41(66)31-38-15-11-28-96-38)81(56(91)42(67)32-39-30-37(83)35-97-39)49(84)33-75-55(90)48-20-10-27-80(48)57(92)45-19-9-24-72-45/h1-3,11,13-15,28,30,35,40-48,72,82-83H,4-10,12,16-27,29,31-34,63-67H2,(H,75,90)(H,76,88)(H,77,86)(H,78,89)(H,79,87)(H4,68,69,73)(H4,70,71,74)/t40-,41-,42-,43-,44-,45-,46+,47-,48-,62+/m0/s1

InChIKey

HKNHKCVEWPZUNK-SZNSIZNJSA-N

Smiles

C([C@](N(C([C@@H](N)Cc1cc(cs1)O)=O)C(CNC([C@H]1N(CCC1)C([C@H]1NCCC1)=O)=O)=O)(CCCNC(=N)N)C([C@@H](NC([C@@H](NC([C@@H](N)CCCCN)=O)CCCCN)=O)CCCNC(=N)N)=O)(=O)OC([C@H](NC([C@@H](NC([C@@H](N)Cc1cccs1)=O)CO)=O)Cc1ccccc1)=O