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Substance Name: B 3852
RN: 117201-47-5
InChIKey: VZNNVEYSLFAINP-ZGZDMDBZSA-N

Note

  • Bradykinin inhibitor.

Molecular Formula

  • C55-H74-F3-N15-O11

Molecular Weight

  • 1178.2776
 
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Names and Synonyms

Name of Substance

  • B 3852

Synonyms

  • 3-(Trans-4-hydroxy-L-proline)-7-L-phenylalanine-8-(N-(4-((aminoiminomethyl)amino)-1-(trifluoroacetyl)butyl)-L-phenylalaninamide)-9-de-L-argininebradykinin
  • Arg-pro-hyp-gly-phe-ser-phe-phe-arg-trifluoroacetic acid
  • B-3852
  • B3852

Systematic Name

  • Bradykinin, 3-(trans-4-hydroxy-L-proline)-7-L-phenylalanine-8-(N-(4-((aminoiminomethyl)amino)-1-(trifluoroacetyl)butyl)-L-phenylalaninamide)-9-de-L-arginine-

Registry Numbers

CAS Registry Number

  • 117201-47-5

System Generated Number

  • 0117201475

Structure Descriptors

InChI

1S/C55H74F3N15O11/c56-55(57,58)45(77)37(20-11-23-65-54(62)63)68-47(79)39(26-33-15-6-2-7-16-33)69-48(80)40(27-34-17-8-3-9-18-34)70-49(81)41(31-74)71-46(78)38(25-32-13-4-1-5-14-32)67-44(76)29-66-50(82)43-28-35(75)30-73(43)52(84)42-21-12-24-72(42)51(83)36(59)19-10-22-64-53(60)61/h1-9,13-18,35-43,74-75H,10-12,19-31,59H2,(H,66,82)(H,67,76)(H,68,79)(H,69,80)(H,70,81)(H,71,78)(H4,60,61,64)(H4,62,63,65)/t35-,36+,37?,38+,39+,40+,41+,42+,43+/m1/s1

InChIKey

VZNNVEYSLFAINP-ZGZDMDBZSA-N

Smiles

c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)NC(CCCNC(=N)N)C(=O)C(F)(F)F)NC(=O)CNC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)N)O