Isofistularin-3

(5S,6R)-7,9-dibromo-N-[3-[2,6-dibromo-4-[2-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

Also Known As: Isofistularin-3|Fistularin 3|FISTULARIN-3|J1.196.497D|1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, 7,9-dibromo-N-(3-(2,6-dibromo-4-(2-((((5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro(4.5)deca-2,6,8-trien-3-yl)carbonyl)amino)-1-hydroxyethyl)phenoxy)-2-hydroxypropyl)-10-hydroxy-8-methoxy-, (5S,10R)-|(5S,6R)-7,9-dibromo-N-[3-[2,6-dibromo-4-[2-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide|(1S,6R)-3,5-Dibromo-N-[2-[3,5-dibromo-4-[3-[[(1S,6R)-3,5-dibromo-6-hydroxy-4-methoxyspiro[2,4-cyclohexadiene-1,5 (4 H)-isoxazole]-3 -yl]carbonylamino]-2-hydroxypropoxy]phenyl]-2-hydroxyethyl]-6-hydroxy-4-methoxyspiro[2,4-cyclohexadiene-1,5 (4 H)-isoxazole]-3 -carboxamide|(5S,10R)-7,9-Dibromo-10-hydroxy-8-methoxy-N-[2-hydroxy-3-[2,6-dibromo-4-[1-hydroxy-2-[[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-yl]carbonylamino]ethyl]phenoxy]propyl]-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide|(5S,10R)-7,9-dibromo-N-[3-[2,6-dibromo-4-[2-[[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carbonyl]amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide|(5S,10R)-7,9-dibromo-N-{3-[2,6-dibromo-4-(2-{[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]formamido}-1-hydroxyethyl)phenoxy]-2-hydroxypropyl}-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide|(5S,10R)-N-[2-Hydroxy-3-[2,6-dibromo-4-[1-hydroxy-2-[[(5S,10R)-7,9-dibromo-8-methoxy-10-hydroxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-yl]carbonylamino]ethyl]phenoxy]propyl]-7,9-dibromo-8-methoxy-10-hydroxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide|(5S,6R)-7,9-dibromo-N-[3-[2,6-dibromo-4-[2-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-1-hydroxy-ethyl]phenoxy]-2-hydroxy-propyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

Molecular Formula	C31H30Br6N4O11
Molecular Weight	1107.7012 g/mol
LogP	1.8
Topological Polar Surface Area	210.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	13
Rotatable Bonds	12
Exact Mass	1107.7012
Monoisotopic Mass	1107.7012
Heavy Atoms	52
Complexity	1610.0

Chemical Identifiers

CAS Number	73622-22-7
SMILES	COC1=C([C@@H]([C@]2(CC(=NO2)C(=O)NCC(COC3=C(C=C(C=C3Br)C(CNC(=O)C4=NO[C@@]5(C4)C=C(C(=C([C@@H]5O)Br)OC)Br)O)Br)O)C=C1Br)O)Br
InChIKey	TURTULDFIIAPTC-CJQKJACMSA-N