Homoaerothionin
(5S,6R)-7,9-dibromo-N-[5-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]pentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Also Known As: homoaerothionin|Homoaerothionine|HOMOEROTHIONIN|HOMOAEROTHIONIN (AN)|J2.858.088F|(5S,5'S,10R,10'R)-N,N'-1,5-PENTANEDIYLBIS(7,9-DIBROMO-10-HYDROXY-8-METHOXY-1-OXA-2-AZASPIRO(4.5)DECA-2,6,8-TRIENE-3-CARBOXAMIDE)|1-OXA-2-AZASPIRO(4.5)DECA-2,6,8-TRIENE-3-CARBOXAMIDE, N,N'-1,5-PENTANEDIYLBIS(7,9-DIBROMO-10-HYDROXY-8-METHOXY-, (5S,5'S,10R,10'R)-|1-OXA-2-AZASPIRO(4.5)DECA-2,6,8-TRIENE-3-CARBOXAMIDE, N,N'-1,5-PENTANEDIYLBIS(7,9-DIBROMO-10-HYDROXY-8-METHOXY-, (5S-(5.ALPHA.(5'R*,10'S*),10.BETA.))-|1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N,N'-1,5-pentanediylbis(7,9-dibromo-10-hydroxy-8-methoxy-, (5S-(5alpha(5'R*,10S*),10beta))-|1-OXA-2-AZASPIRO(4.5)DECA-2,6,8-TRIENE-3-CARBOXAMIDE, N,N'-PENTAMETHYLENEBIS(7,9-DIBROMO-10-HYDROXY-8-METHOXY-|(5S,10R)-7,9-dibromo-N-(5-{[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]formamido}pentyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide|(5S,10R)-7,9-dibromo-N-[5-[[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carbonyl]amino]pentyl]-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide|(5S,5'S,10S,10'R)-N,N'-(1,5-Pentanediyl)bis[7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide]|(5S,6R)-7,9-dibromo-N-(5-(((5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro(4.5)deca-2,7,9-triene-3-carbonyl)amino)pentyl)-6-hydroxy-8-methoxy-1-oxa-2-azaspiro(4.5)deca-2,7,9-triene-3-carboxamide|(5S,6R)-7,9-dibromo-N-[5-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]pentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide|1-OXA-2-AZASPIRO(4.5)DECA-2,6,8-TRIENE-3-CARBOXAMIDE, N,N'-1,5-PENTANEDIYLBIS(7,9-DIBROMO-10-HYDROXY-8-METHOXY-, (5S-(5ALPHA(5'R*,10'S*),10BETA))-|N,N -(1,5-Pentanediyl)bis[(1S)-2beta-hydroxy-3,5-dibromo-4-methoxyspiro[benzene-1(2H),5 (4 H)-isoxazole]-3 -carboxamide]
| Molecular Formula | C25H28Br4N4O8 |
|---|---|
| Molecular Weight | 827.8641 g/mol |
| LogP | 3.23 |
| Topological Polar Surface Area | 160.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 831.86 |
| Heavy Atoms | 41 |
| Complexity | 1199.9 |
Chemical Identifiers
| CAS Number | 34232-66-1 |
|---|---|
| SMILES | COC1=C([C@@H]([C@]2(CC(=NO2)C(=O)NCCCCCNC(=O)C3=NO[C@@]4(C3)C=C(C(=C([C@@H]4O)Br)OC)Br)C=C1Br)O)Br |
Product Overview
Homoaerothionin (CAS 34232-66-1), with molecular formula C25H28Br4N4O8 and molecular weight 827.8641 g/mol. IUPAC: (5S,6R)-7,9-dibromo-N-[5-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]pentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide.
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