Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: B 3824
RN: 111317-75-0
InChIKey: FNVVQNCLFABNRW-USEXEYBZSA-N

Note

  • B5630 is the D-Arg(1) analog of B-3824; bradykinin inhibitor.

Molecular Formula

  • C56-H83-N19-O13-S2.C2-H-F3-O2

Molecular Weight

  • 1408.5456
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • B 3824

Synonyms

  • Aaphg-tfa
  • Arg-arg-pro-hyp-gly-thi-ser-phe-thi-arg trifluoroacetic acid
  • B 5630
  • B-3824
  • B-5630
  • B5630
  • D-Arg-arg-pro-hyp-gly-thi-ser-D-phe-thi-arg trifluoroacetic acid

Systematic Name

  • L-Arginine, N2-(N-(N-(N-(N-(N-(1-(1-(N2-D-arginyl-L-arginyl)-L-prolyl)-trans-4-hydroxy-L-prolyl)glycyl)-3-(2-thienyl)-L-alanyl)-L-seryl)-D-phenylalanyl)-3-(2-thienyl)-L-alanyl)-, mono(trifluoroacetate) (salt)

Registry Numbers

CAS Registry Number

  • 111317-75-0

Related Registry Number

  • 103412-42-6 (Parent)

System Generated Number

  • 0111317750

Molecular Formulas

Molecular Formula

  • C56-H83-N19-O13-S2.C2-H-F3-O2

Molecular Formula Fragments

  • C2-H-F3-O2
  • C56-H83-N19-O13-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C56H83N19O13S2.C2HF3O2/c57-35(13-4-17-66-53(60)61)45(80)71-38(14-5-18-67-54(62)63)50(85)74-20-6-15-42(74)44(79)34(16-19-68-55(64)65)56(52(87)88,43(78)28-70-47(82)39-24-31(77)27-69-39)75(49(84)37(59)26-33-12-8-22-90-33)51(86)40(23-30-9-2-1-3-10-30)72-48(83)41(29-76)73-46(81)36(58)25-32-11-7-21-89-32;3-2(4,5)1(6)7/h1-3,7-12,21-22,31,34-42,69,76-77H,4-6,13-20,23-29,57-59H2,(H,70,82)(H,71,80)(H,72,83)(H,73,81)(H,87,88)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68);(H,6,7)/t31-,34?,35-,36+,37+,38+,39+,40-,41+,42+,56-;/m1./s1

InChIKey

FNVVQNCLFABNRW-USEXEYBZSA-N

Smiles

c1ccc(cc1)C[C@H](C(=O)N(C(=O)[C@H](Cc2cccs2)N)[C@](C(CCNC(=N)N)C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)N)(C(=O)CNC(=O)[C@@H]4C[C@H](CN4)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc5cccs5)N.C(=O)(C(F)(F)F)O