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Substance Name: Araplysillin I
RN: 129313-98-0
InChIKey: DJOILUOUAWXGIG-ZQRQZVKFSA-N

Note

  • From sponge Druinella purpurea.

Molecular Formula

  • C21-H23-Br4-N3-O5

Molecular Weight

  • 717.045
 
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Names and Synonyms

Name of Substance

  • Araplysillin I

Synonym

  • (5S-trans)-N-(3-(4-(2 -Aminoethyl)-2,6-dibromophenoxy)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro(4,5)deca-2,6,8-triene-3-carboxamide

Systematic Names

  • 1-Oxa-2-azaspiro(4,5)deca-2,6,8-triene-3-carboxamide, N-(3-(4-(2 -aminoethyl)-2,6-dibromophenoxy)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-, (5S-trans)-
  • 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 129313-98-0

System Generated Number

  • 0129313980

Structure Descriptors

InChI

1S/C21H23Br4N3O5/c1-31-18-14(24)9-21(19(29)16(18)25)10-15(28-33-21)20(30)27-5-2-6-32-17-12(22)7-11(3-4-26)8-13(17)23/h7-9,19,29H,2-6,10,26H2,1H3,(H,27,30)/t19-,21?/m0/s1

InChIKey

DJOILUOUAWXGIG-ZQRQZVKFSA-N

Smiles

O1N=C(C[C@@]21C=C(C(=C([C@@H]2O)Br)OC)Br)C(=O)NCCCOc1c(cc(cc1Br)CCN)Br