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28714-26-3 | 1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, N,N'-1,4-butanediylbis[7,9-dibromo-10-hydroxy-8-methoxy-, (5S,5'S,10R,10'R)-
CAS No: 28714-26-3 Catalog No: AG002W82 MDL No:
Product Description
Catalog Number:
AG002W82
Chemical Name:
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, N,N'-1,4-butanediylbis[7,9-dibromo-10-hydroxy-8-methoxy-, (5S,5'S,10R,10'R)-
CAS Number:
28714-26-3
Molecular Formula:
C24H26Br4N4O8
Molecular Weight:
818.1012
IUPAC Name:
(5S,6R)-7,9-dibromo-N-[4-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]butyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
InChI:
InChI=1S/C24H26Br4N4O8/c1-37-17-11(25)7-23(19(33)15(17)27)9-13(31-39-23)21(35)29-5-3-4-6-30-22(36)14-10-24(40-32-14)8-12(26)18(38-2)16(28)20(24)34/h7-8,19-20,33-34H,3-6,9-10H2,1-2H3,(H,29,35)(H,30,36)/t19-,20-,23+,24+/m0/s1
InChI Key:
BJWQSQOWGBUSFC-UWXQAFAOSA-N
SMILES:
COC1=C(Br)[C@@H]([C@]2(C=C1Br)ON=C(C2)C(=O)NCCCCNC(=O)C1=NO[C@@]2(C1)C=C(Br)C(=C([C@@H]2O)Br)OC)O
Properties
Complexity:
1180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
817.844g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
818.108g/mol
Monoisotopic Mass:
813.848g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Brominated arginine-derived alkaloids from the red sea sponge Suberea mollis. | Journal of natural products 20110624 |
| Cytotoxic dibromotyrosine-derived metabolites from the sponge Aplysina gerardogreeni. | Bioorganic & medicinal chemistry 20070801 |
| Bioactive constituents from the marine crinoid Himerometra magnipinna. | Journal of natural products 20070501 |
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