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Substance Name: Jasplakinolide
RN: 102396-24-7
InChIKey: GQWYWHOHRVVHAP-HZIRKPFGSA-N

Note

  • Cyclodepsipeptide isolated from marine sponge Jaspis; active against Candida.

Classification Codes

  • Anti-Infective Agents
  • Antifungal Agents
  • Antineoplastic Agents
  • Insecticides
  • Pesticides

Molecular Formula

  • C36-H45-Br-N4-O6

Molecular Weight

  • 709.677
 
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Names and Synonyms

Name of Substance

  • Jasplakinolide

Synonyms

  • Jaspamide
  • NSC 613009

Systematic Name

  • beta-Alanine, N-(2-bromo-N-(N-(8-hydroxy-2,4,6-trimethyl-1-oxo-4-nonenyl)-L-alanyl)-N-methyl-D-tryptophyl)-L-3-(4-hydroxyphenyl)-, p-lactone, (2S-(2R*,4E,6S*,8R*))-

Registry Numbers

CAS Registry Number

  • 102396-24-7

System Generated Number

  • 0102396247

Structure Descriptors

InChI

1S/C36H45BrN4O6/c1-20-15-21(2)17-23(4)47-32(43)19-30(25-11-13-26(42)14-12-25)40-35(45)31(18-28-27-9-7-8-10-29(27)39-33(28)37)41(6)36(46)24(5)38-34(44)22(3)16-20/h7-15,21-24,30-31,39,42H,16-19H2,1-6H3,(H,38,44)(H,40,45)/b20-15+/t21-,22+,23-,24-,30+,31+/m0/s1

InChIKey

GQWYWHOHRVVHAP-HZIRKPFGSA-N

Smiles

c1([C@@H]2NC([C@H](N(C([C@@H](NC([C@@H](CC(=C[C@H](C)C[C@@H](OC(C2)=O)C)C)C)=O)C)=O)C)Cc2c([nH]c3c2cccc3)Br)=O)ccc(O)cc1