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Substance Name: B 4310
RN: 103412-40-4
InChIKey: IWARKKORVVZCCH-XCXQOIGMSA-N

Note

  • Bradykinin inhibitor.

Molecular Weight

  • 1394.68
 
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Names and Synonyms

Name of Substance

  • B 4310

Synonyms

  • B-4310
  • Bradykinin, lys-lys-3-hyp-5,8-thi-7-phe-
  • Bradykinin, lys-lys-hyp(3)-(thi-ala)(5,8)-phe(7)-
  • Bradykinin, lysyl-lysyl-hydroxyproly(3)-(thienylalanyl)(5,8)-phenylalanyl(7)-
  • Lys-lys-3-hyp-5,8-(thi-ala)-7-phe-
  • Lysyl-lysyl-3-(hydroxyprolyl)-5,8-thienyl-7-phenylalanine-bradykinin

Systematic Name

  • L-Arginine, N2-(N-(N-(N-(N-(N-(trans-4-hydroxy-1-(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

  • 103412-40-4

System Generated Number

  • 0103412404

Structure Descriptors

InChI

1S/C62H95N19O14S2/c63-21-6-4-16-40(65)51(86)76-43(17-5-7-22-64)54(89)77-44(18-8-23-72-60(68)69)57(92)80-25-9-19-48(80)50(85)39(20-24-73-61(70)71)62(59(94)95,49(84)33-75-53(88)45-29-36(83)32-74-45)81(56(91)42(67)31-38-15-11-27-97-38)58(93)46(28-35-12-2-1-3-13-35)78-55(90)47(34-82)79-52(87)41(66)30-37-14-10-26-96-37/h1-3,10-15,26-27,36,39-48,74,82-83H,4-9,16-25,28-34,63-67H2,(H,75,88)(H,76,86)(H,77,89)(H,78,90)(H,79,87)(H,94,95)(H4,68,69,72)(H4,70,71,73)/t36-,39?,40+,41+,42+,43+,44+,45+,46-,47+,48+,62-/m1/s1

InChIKey

IWARKKORVVZCCH-XCXQOIGMSA-N

Smiles

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