(5S,10R)-7,9-dibromo-N-[(2R)-2-[3,5-dibromo-4-(3-{[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]formamido}-2-oxopropoxy)phenyl]-2-hydroxyethyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxami
AlkaPlorer ID: AK159494
Synonym: None
IUPAC Name: (5R,6S)-7,9-dibromo-N-[2-[3,5-dibromo-4-[3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-2-oxopropoxy]phenyl]-2-hydroxyethyl]-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)NCC(O)C1=CC(Br)=C(OCC(=O)CNC(=O)C3=NO[C@]4(C=C(Br)C(OC)=C(Br)[C@@H]4O)C3)C(Br)=C1)=NO2
InChI: InChI=1S/C31H28Br6N4O11/c1-48-24-16(34)5-30(26(44)21(24)36)7-18(40-51-30)28(46)38-9-13(42)11-50-23-14(32)3-12(4-15(23)33)20(43)10-39-29(47)19-8-31(52-41-19)6-17(35)25(49-2)22(37)27(31)45/h3-6,20,26-27,43-45H,7-11H2,1-2H3,(H,38,46)(H,39,47)/t20?,26-,27+,30+,31-/m0/s1
InChIKey: SGBKFQBILVXVCY-BCUNMAEHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysina archeri | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1112.006
TPSA？: 206.83
MolLogP？: 4.267900000000003
Number of H-Donors: 5
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Feline leukemia virus | Feline leukemia virus | ED50 | 42.0 | uM | 10.1021/np50082a020 |
| None | ADMET | ID50 | 449.0 | uM | 10.1021/np50082a020 |
| None | Unchecked | Ratio | 11.0 | None | 10.1021/np50082a020 |