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Substance Name: Dafphedyn
RN: 111846-43-6
InChIKey: GONRGWUCZCUEAR-NGBXKCEBSA-N

Note

  • Retains essential pharmacology of parent compound & exhibits marked in vivo potency.

Molecular Formula

  • C76-H124-F5-N25-O14

Molecular Weight

  • 1706.97
 
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Names and Synonyms

Results Name

  • Dafphedyn

Name of Substance

  • Dynorphin amide (1-13), ala(2)-(5-F-phe)(4)-

Synonyms

  • 2-Ala-4-(5-F-phe)-dynorphin amide (1-13)
  • Dafphedyn
  • Dynorphin amide (1-13), ala(2)-(F(5)-phe)(4)-
  • Dynorphin amide (1-13), alanyl(2)-(5-fluorophenylalanine)(4)-

Systematic Name

  • Dynorphin A (pig), 2-D-alanine-4-(2,3,4,5,6-pentafluoro-L-phenylalanine)-13-L-lysinamide-14-de-L-tryptophan-15-de-L-aspartic acid-16-de-L-asparagine-17-de-L-glutamine-

Registry Numbers

CAS Registry Number

  • 111846-43-6

System Generated Number

  • 0111846436

Structure Descriptors

InChI

1S/C76H124F5N25O14/c1-8-40(6)61(72(119)102-50(21-15-31-94-76(90)91)73(120)106-32-16-22-54(106)71(118)101-47(18-10-12-28-83)66(113)103-51(33-38(2)3)68(115)98-46(62(85)109)17-9-11-27-82)105-67(114)49(20-14-30-93-75(88)89)99-65(112)48(19-13-29-92-74(86)87)100-69(116)52(34-39(4)5)104-70(117)53(36-44-56(77)58(79)60(81)59(80)57(44)78)97-55(108)37-95-63(110)41(7)96-64(111)45(84)35-42-23-25-43(107)26-24-42/h23-26,38-41,45-54,61,107H,8-22,27-37,82-84H2,1-7H3,(H2,85,109)(H,95,110)(H,96,111)(H,97,108)(H,98,115)(H,99,112)(H,100,116)(H,101,118)(H,102,119)(H,103,113)(H,104,117)(H,105,114)(H4,86,87,92)(H4,88,89,93)(H4,90,91,94)/t40-,41+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1

InChIKey

GONRGWUCZCUEAR-NGBXKCEBSA-N

Smiles

c1(c(c(c(c(c1F)F)F)F)F)C[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N1CCC[C@H]1C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)CCCCN)=O)=O)=O)=O)[C@H](CC)C)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CC(C)C)=O)NC(CNC([C@H](NC([C@H](Cc1ccc(cc1)O)N)=O)C)=O)=O