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Substance Name: Bradykinin, hyp(3)-thi(5)-tic(7)-oic(8)-desarg(9)-
RN: 144006-47-3
InChIKey: MPJPGRJLNHDFIX-ADJOTSCLSA-N

Note

  • A bradykinin B1 receptor antagonist.

Molecular Formula

  • C47-H65-N11-O11-S

Molecular Weight

  • 992.162
 
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Names and Synonyms

Name of Substance

  • Bradykinin, hyp(3)-thi(5)-tic(7)-oic(8)-desarg(9)-

Synonyms

  • (Hyp(3)-thi(5)-dtic(7)-oic(8))desarg(9)-BK
  • 3-Hyp-5-thi-7-tic-8-oic-9-desarg-bradykinin
  • Bradykinin, hydroxyprolyl(3)-3-thienylalanyl(5)-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl(7)-octahydro-1H-indole-2-carbonyl(8)-desarginyl(9)-
  • Des(arg(1,10))-hoe 140
  • Hoe 140, des(arg(1,10))-
  • Hoe 140, des(arginyl(1,10))-
  • Httod-BK
  • Hyp(3)-thi(5)-D-tic(7)-oic(8)-desarg(10)-BK

Systematic Name

  • L-Alaninamide, L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-N-(2-(3-((2-carboxyoctahydro-1H-indol-1-yl)carbonyl)-3,4-dihydro-2(1H)-isoquinolinyl)-1-(hydroxymethyl)-2-oxoethyl)-3-(2-thienyl)-, (2S-(1(S*(R*)),2alpha,3abeta,7abeta))-

Registry Numbers

CAS Registry Number

  • 144006-47-3

System Generated Number

  • 0144006473

Structure Descriptors

InChI

1S/C47H65N11O11S/c48-31(12-5-15-51-47(49)50)41(63)55-16-6-14-36(55)44(66)58(39(61)23-53-40(62)32-20-29(60)22-52-32)43(65)33(21-30-11-7-17-70-30)54-34(25-59)42(64)56-24-28-10-2-1-8-26(28)18-37(56)45(67)57-35-13-4-3-9-27(35)19-38(57)46(68)69/h1-2,7-8,10-11,17,27,29,31-38,52,54,59-60H,3-6,9,12-16,18-25,48H2,(H,53,62)(H,68,69)(H4,49,50,51)/t27-,29-,31-,32-,33-,34?,35-,36-,37?,38+/m0/s1

InChIKey

MPJPGRJLNHDFIX-ADJOTSCLSA-N

Smiles

C([C@@H](N[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H](C[C@@H]2CCCC[C@H]12)C(=O)O)CO)Cc1cccs1)(=O)N(C(CNC([C@H]1NC[C@H](C1)O)=O)=O)C([C@H]1N(CCC1)C([C@@H](N)CCCNC(=N)N)=O)=O