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Substance Name: Clavamine
RN: 129121-68-2
InChIKey: VRIUOZAEZDNGTN-HRNNMHKYSA-N

Note

  • The main insecticidal component in venom of Nephila clavata.

Molecular Formula

  • C35-H60-N12-O9

Molecular Weight

  • 792.934
 
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Names and Synonyms

Name of Substance

  • Clavamine

Synonyms

  • (S)-L-Arginylglycyl-N-(17-(2-amino-2-oxoethyl)-20-(2,4-dihydroxyphenyl)-8,16,19-trioxo-5,9,15,18-tetraazaeicos-1-yl)-L-alaninamide
  • Clavamin
  • N-(2,4-Dihydroxyphenylacetyl-L-asparaginyl)-N'-(N-(L-arginyl-glycyl-L-alanyl)-8-amino-4-azaoctanoyl)-1,5-pentanediamine

Systematic Name

  • L-Alaninamide, L-arginylglycyl-N-(17-(2-amino-2-oxoethyl)-20-(2,4-dihydroxyphenyl)-8,16,19-trioxo-5,9,15,18-tetraazaeicos-1-yl)-, (S)-

Registry Numbers

CAS Registry Number

  • 129121-68-2

System Generated Number

  • 0129121682

Structure Descriptors

InChI

1S/C35H60N12O9/c1-22(32(54)47-31(53)21-45-33(55)25(36)8-7-16-44-35(38)39)41-13-6-5-12-40-17-11-29(51)42-14-3-2-4-15-43-34(56)26(20-28(37)50)46-30(52)18-23-9-10-24(48)19-27(23)49/h9-10,19,22,25-26,40-41,48-49H,2-8,11-18,20-21,36H2,1H3,(H2,37,50)(H,42,51)(H,43,56)(H,45,55)(H,46,52)(H4,38,39,44)(H,47,53,54)/t22-,25-,26-/m0/s1

InChIKey

VRIUOZAEZDNGTN-HRNNMHKYSA-N

Smiles

C([C@@H](NCCCCNCCC(NCCCCCNC([C@@H](NC(Cc1c(cc(cc1)O)O)=O)CC(=O)N)=O)=O)C)(=O)NC(CNC([C@@H](N)CCCNC(=N)N)=O)=O