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Substance Name: B 4146
RN: 103433-42-7
InChIKey: AQHOAWGFFNLKGK-MHTRQXILSA-N

Note

  • Bradykinin inhibitor.

Molecular Formula

  • C50-H71-N15-O12-S2

Molecular Weight

  • 1138.34
 
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Names and Synonyms

Name of Substance

  • B 4146

Synonyms

  • Arg-pro-hyp-gly-thi-ser-phe-thi-arg tfa
  • Arg-pro-hyp-gly-thi-ser-phe-thi-arg-OH
  • Arginyl-prolyl-4-hydroxyprolyl-glycyl-beta-(2-thienyl)alanyl-seryl-phenylalanyl-beta-(2-thienyl)alanyl-arginine trifluoroacetic acid
  • B 4147
  • B-4146
  • B-4147
  • B4146
  • B4147

Systematic Name

  • Bradykinin, 3-(trans-4-hydroxy-L-proline)-5-(3-(2-thienyl)-L-alanine)-7-D-phenylalanine-8-(3-(2-thienyl)-L-alanine)-

Registry Numbers

CAS Registry Number

  • 103433-42-7

System Generated Number

  • 0103433427

Structure Descriptors

InChI

1S/C50H71N15O12S2/c1-27(51)41(70)63-33(26-66)43(72)62-32(22-28-10-3-2-4-11-28)45(74)65(46(75)39(53)38(35-14-7-20-78-35)36-15-8-21-79-36)50(16-9-18-59-49(56)57,47(76)77-37(68)25-61-42(71)31-23-29(67)24-60-31)40(69)34-13-6-19-64(34)44(73)30(52)12-5-17-58-48(54)55/h2-4,7-8,10-11,14-15,20-21,27,29-34,38-39,60,66-67H,5-6,9,12-13,16-19,22-26,51-53H2,1H3,(H,61,71)(H,62,72)(H,63,70)(H4,54,55,58)(H4,56,57,59)/t27-,29+,30-,31-,32+,33-,34-,39-,50+/m0/s1

InChIKey

AQHOAWGFFNLKGK-MHTRQXILSA-N

Smiles

C([C@@](N(C([C@@H](N)C(c1cccs1)c1cccs1)=O)C([C@H](NC([C@@H](NC([C@@H](N)C)=O)CO)=O)Cc1ccccc1)=O)(CCCNC(=N)N)C([C@H]1N(CCC1)C([C@@H](N)CCCNC(=N)N)=O)=O)(=O)OC(CNC([C@H]1NC[C@@H](C1)O)=O)=O