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Substance Name: Motuporin
RN: 141672-08-4
InChIKey: GIRIHYQVGVTBIP-NJYUBDSESA-N

Note

  • Toxin isolated from the marine sponge Thenonella swinhoie grey.

Molecular Formula

  • C40-H57-N5-O10

Molecular Weight

  • 767.915
 
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Names and Synonyms

Name of Substance

  • Motuporin

Synonyms

  • (-)-Motuporin
  • Nodularin V

Systematic Name

  • Cyclo((Z)-2,3-didehydro-N-methyl-2-aminobutanoyl-erythro-3-methyl-D-beta-aspartyl-L-valyl-(2S,3S,4E,6E,8S,9S)-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyl-3-aminodecanoyl-D-gamma-glutamyl)

Registry Numbers

CAS Registry Number

  • 141672-08-4

System Generated Number

  • 0141672084

Structure Descriptors

InChI

1S/C40H57N5O10/c1-10-30-37(49)44-34(40(53)54)26(7)36(48)43-33(22(2)3)38(50)41-28(25(6)35(47)42-29(39(51)52)18-19-32(46)45(30)8)17-16-23(4)20-24(5)31(55-9)21-27-14-12-11-13-15-27/h10-17,20,22,24-26,28-29,31,33-34H,18-19,21H2,1-9H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)(H,51,52)(H,53,54)/b17-16+,23-20+,30-10-/t24-,25-,26-,28-,29+,31-,33-,34+/m0/s1

InChIKey

GIRIHYQVGVTBIP-NJYUBDSESA-N

Smiles

C1[C@H](C(O)=O)NC([C@@H](C)[C@@H](NC(=O)[C@H](C(C)C)NC([C@H]([C@@H](NC(=O)C(\N(C(C1)=O)C)=C/C)C(O)=O)C)=O)\C=C\C(C)=C\[C@H](C)[C@H](Cc1ccccc1)OC)=O