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Substance Name: Purealin
RN: 100101-28-8
InChIKey: FFJLRVBPVWKFTA-LJPOCSEESA-N

Note

  • From sea sponge Psammaplysilla purea; modulates ATPase activity of dephosphorylated myosin.

Molecular Weight

  • 883.184
 
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Names and Synonyms

Name of Substance

  • Purealin

Systematic Name

  • 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(3-(4-(3-((2-(2-amino-1H-imidazol-4-yl)ethyl)amino)-2-(hydroxyimino)-3-oxopropyl)-2,6-dibromophenoxy)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-, (5R-trans)-

Registry Numbers

CAS Registry Number

  • 100101-28-8

System Generated Number

  • 0100101288

Structure Descriptors

InChI

1S/C27H29Br4N7O7/c1-43-22-17(30)10-27(23(39)20(22)31)11-19(38-45-27)25(41)33-4-2-6-44-21-15(28)7-13(8-16(21)29)9-18(37-42)24(40)34-5-3-14-12-35-26(32)36-14/h7-8,10,12,23,39,42H,2-6,9,11H2,1H3,(H,33,41)(H,34,40)(H3,32,35,36)/b37-18-/t23-,27?/m1/s1

InChIKey

FFJLRVBPVWKFTA-LJPOCSEESA-N

Smiles

C1[C@@]2(C=C(Br)C(OC)=C(Br)[C@H]2O)ON=C1C(NCCCOc1c(cc(cc1Br)C\C(=N\O)C(NCCc1cnc([nH]1)N)=O)Br)=O