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Substance Name: Aplysinamisine II
RN: 150417-68-8
InChIKey: GCYSDIFCRYTRFB-KNVGNIICSA-N

Note

  • Isolated from the Caribbean sponge Aplysina cauliformis.

Molecular Weight

  • 509.197
 
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Names and Synonyms

Name of Substance

  • Aplysinamisine II

Synonym

  • Aplysinamisine-II

Systematic Name

  • 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(5-((aminoiminomethyl)amino)pentyl)-7,9-dibromo-10-hydroxy-8-methoxy-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 150417-68-8

System Generated Number

  • 0150417688

Structure Descriptors

InChI

1S/C16H23Br2N5O4/c1-26-12-9(17)7-16(13(24)11(12)18)8-10(23-27-16)14(25)21-5-3-2-4-6-22-15(19)20/h7,13,24H,2-6,8H2,1H3,(H,21,25)(H4,19,20,22)/t13-,16?/m0/s1

InChIKey

GCYSDIFCRYTRFB-KNVGNIICSA-N

Smiles

O1N=C(C[C@@]21C=C(C(=C([C@@H]2O)Br)OC)Br)C(=O)NCCCCCNC(=N)N