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Substance Name: Hoe 140, desarg(10)-
RN: 138680-92-9
InChIKey: NZVSWJBJOVGTMD-HBRAAJGISA-N

Note

  • A potent B1 bradykinin antagonist.

Molecular Formula

  • C53-H77-N15-O12-S

Molecular Weight

  • 1148.3503
 
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Names and Synonyms

Name of Substance

  • Hoe 140, desarg(10)-

Synonyms

  • 10-Desarg-hoe 140
  • Arg-(3-hyp-5-thi-7-tic-9-oic)-9-desarg-bradykinin
  • Bradykinin, arg-(hyp(3)-thi(5)-tic(7)-oic(8))-desarg(9)-
  • Bradykinin, arginyl-(hydroxypropyl(3)-3-thienylalanyl(5)-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl(7)-octahydro-1H-indole-2-carbonyl(8))-desarginyl(9)-
  • D-Arg(hyp(3)-thi(5)-D-tic(7)-oic(8)-desarg(10))BK
  • Darg(hyp(3)-thi(5)-dtic(7)-oic(8))desarg(9)-BK
  • Hoe 140, desarginyl(10)-

Systematic Name

  • L-Alaninamide, D-arginyl-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

  • 138680-92-9

System Generated Number

  • 0138680929

Structure Descriptors

InChI

1S/C53H77N15O12S/c54-32(12-4-17-61-50(56)57)45(75)65-34(13-5-18-62-51(58)59)48(78)68-20-6-14-37(68)41(72)31-11-3-15-38-52(31,39(71)25-64-47(77)35-22-28(70)24-63-35)43(42(73)40-30-10-2-1-8-27(30)16-19-60-40)53(67-38,49(79)80)44(74)36(26-69)66-46(76)33(55)23-29-9-7-21-81-29/h7,9,16,19,21,28,31-38,43,63,67,69-70H,1-6,8,10-15,17-18,20,22-26,54-55H2,(H,64,77)(H,65,75)(H,66,76)(H,79,80)(H4,56,57,61)(H4,58,59,62)/t28?,31?,32-,33+,34+,35+,36+,37+,38+,43?,52+,53+/m1/s1

InChIKey

NZVSWJBJOVGTMD-HBRAAJGISA-N

Smiles

c1cc(sc1)C[C@@H](C(=O)N[C@@H](CO)C(=O)[C@@]2(C([C@@]3([C@@H](N2)CCCC3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)N)C(=O)CNC(=O)[C@@H]5CC(CN5)O)C(=O)c6c7c(ccn6)CCCC7)C(=O)O)N