179523-38-7
AlkaPlorer ID: AK013980
Synonym: '', '11,19-Dideoxyfistularin-3'
IUPAC Name: (5S,6R)-7,9-dibromo-N-[3-[2,6-dibromo-4-[2-[[(5R,6S)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]ethyl]phenoxy]propyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Structure
SMILES: COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NCCC1=CC(Br)=C(OCCCNC(=O)C3=NO[C@]4(C=C(Br)C(OC)=C(Br)[C@@H]4O)C3)C(Br)=C1)=NO2
InChI: InChI=1S/C31H30Br6N4O9/c1-46-24-17(34)10-30(26(42)21(24)36)12-19(40-49-30)28(44)38-5-3-7-48-23-15(32)8-14(9-16(23)33)4-6-39-29(45)20-13-31(50-41-20)11-18(35)25(47-2)22(37)27(31)43/h8-11,26-27,42-43H,3-7,12-13H2,1-2H3,(H,38,44)(H,39,45)/t26-,27+,30+,31-/m0/s1
InChIKey: SYYVXQOWLOEXDU-WFFVHEBKSA-N
Source
Properties Information
Molecule Weight: 1082.024
TPSA？: 169.53
MolLogP？: 5.598000000000006
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | Activity | None | None | 10.1021/np50069a012 |
| Candida albicans | Candida albicans | Activity | None | None | 10.1021/np50069a012 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/np50069a012 |