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Substance Name: Vespakinin-X
RN: 63596-81-6
InChIKey: JTBMXLQHBVQUQA-JBCSUPIXSA-N

Note

  • One of several biologically active substances in venom or Vespa xanthoptera.

Molecular Formula

  • C64-H98-N18-O14

Molecular Weight

  • 1343.59
 
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Names and Synonyms

Name of Substance

  • Vespakinin-X

Synonym

  • Ala-arg-pro-pro-gly-phe-ser-pro-phe-arg-ile-val

Systematic Name

  • Phyllokinin, N2-L-alanyl-11-L-valine-

Registry Numbers

CAS Registry Number

  • 63596-81-6

System Generated Number

  • 0063596816

Structure Descriptors

InChI

1S/C64H98N18O14/c1-6-37(4)51(58(91)78-50(36(2)3)62(95)96)79-53(86)41(22-13-27-70-63(66)67)74-55(88)44(33-40-20-11-8-12-21-40)76-57(90)47-25-16-29-80(47)60(93)45(35-83)77-54(87)43(32-39-18-9-7-10-19-39)73-49(84)34-72-56(89)46-24-15-30-81(46)61(94)48-26-17-31-82(48)59(92)42(75-52(85)38(5)65)23-14-28-71-64(68)69/h7-12,18-21,36-38,41-48,50-51,83H,6,13-17,22-35,65H2,1-5H3,(H,72,89)(H,73,84)(H,74,88)(H,75,85)(H,76,90)(H,77,87)(H,78,91)(H,79,86)(H,95,96)(H4,66,67,70)(H4,68,69,71)/t37-,38-,41-,42-,43-,44-,45-,46-,47-,48-,50-,51-/m0/s1

InChIKey

JTBMXLQHBVQUQA-JBCSUPIXSA-N

Smiles

N([C@@H](CCCNC(N)=N)C(=O)N1[C@@H](CCC1)C(N1[C@@H](CCC1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@@H](C(C)C)C(O)=O)=O)CO)Cc1ccccc1)=O)C([C@H](C)N)=O