150417-69-9
AlkaPlorer ID: AK024938
Synonym: '', 'Aplysinamisine III'
IUPAC Name: (5S,6S)-N-[3-[4-[(1R)-2-acetamido-1-hydroxyethyl]-2,6-dibromophenoxy]propyl]-7,9-dibromo-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)NCCCOC1=C(Br)C=C([C@@H](O)CN=C(C)O)C=C1Br)=NO2
InChI: InChI=1S/C23H25Br4N3O7/c1-11(31)29-10-17(32)12-6-13(24)19(14(25)7-12)36-5-3-4-28-22(34)16-9-23(37-30-16)8-15(26)20(35-2)18(27)21(23)33/h6-8,17,21,32-33H,3-5,9-10H2,1-2H3,(H,28,34)(H,29,31)/t17-,21+,23+/m0/s1
InChIKey: WGLJDQYUOYCSPY-AMHTUMDSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysina cauliformis | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 775.0830000000001
TPSA？: 142.20000000000002
MolLogP？: 4.527800000000004
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|