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Substance Name: Daaccal
RN: 103614-06-8
InChIKey: HZVKGQPGVYVRKU-XOFRUKGJSA-N

Molecular Formula

  • C51-H81-N19-O10-S2

Molecular Weight

  • 1184.4559
 
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Names and Synonyms

Results Name

  • Daaccal

Name of Substance

  • Dynorphin A amide (1-9), cys(2)-cys(5)-mearg(7)-leu(8)-

Synonyms

  • 2-Cys-5-cys-7-mearg-8-leu-dynorphin A (1-9)-NH2
  • Daaccal
  • Dynorphin A amide (1-9), cysteinyl(2)-cysteinyl(5)-methylarginyl(7)-leucine(8)-

Systematic Name

  • L-Argininamide, L-tyrosyl-D-cysteinylglycyl-L-phenylalanyl-L-cysteinyl-L-arginyl-N2-methyl-L-arginyl-D-leucyl-, cyclic (2-5)-disulfide

Registry Numbers

CAS Registry Number

  • 103614-06-8

System Generated Number

  • 0103614068

Structure Descriptors

InChI

1S/C51H81N19O10S2/c1-28(2)22-36(67-43(75)33(59-3)12-7-19-60-49(53)54)46(78)65-34(13-8-20-61-50(55)56)44(76)70-45(77)35(14-9-21-62-51(57)58)66-48(80)39(27-82)69-47(79)37(24-29-10-5-4-6-11-29)64-40(72)25-63-42(74)38(26-81)68-41(73)32(52)23-30-15-17-31(71)18-16-30/h4-6,10-11,15-18,26,28,32-39,59,71,82H,7-9,12-14,19-25,27,52H2,1-3H3,(H,63,74)(H,64,72)(H,65,78)(H,66,80)(H,67,75)(H,68,73)(H,69,79)(H4,53,54,60)(H4,55,56,61)(H4,57,58,62)(H,70,76,77)/t32-,33-,34-,35-,36+,37-,38+,39-/m0/s1

InChIKey

HZVKGQPGVYVRKU-XOFRUKGJSA-N

Smiles

CC(C)C[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C=S)NC(=O)[C@H](Cc2ccc(cc2)O)N)NC(=O)[C@H](CCCNC(=N)N)NC