Oxeatamide B
AlkaPlorer ID: AK123505
Synonym: None
IUPAC Name: (2R)-2-[2-[2-(1H-imidazol-5-yl)ethyl]-1-oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-3H-isoindol-4-yl]propanoic acid
Structure
SMILES: C[C@@H](C(=O)O)C1=C2CN(CCC3=CN=CN3)C(=O)C2=CC=C1[C@@]1(C)CCCC(C)(C)C1
InChI: InChI=1S/C25H33N3O3/c1-16(23(30)31)21-19-13-28(11-8-17-12-26-15-27-17)22(29)18(19)6-7-20(21)25(4)10-5-9-24(2,3)14-25/h6-7,12,15-16H,5,8-11,13-14H2,1-4H3,(H,26,27)(H,30,31)/t16-,25+/m1/s1
InChIKey: XCPAXKZWCUDCEI-CPJLOUKISA-N
Reference
Deacetylation of PS-5, a new .BETA.-lactam compound. I. Microbial deacetylation of PS-5.
PubChem CID: 101888834
NPASS: NPC489065
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Darwinella oxeata | Darwinella | Darwinellidae | Dendroceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 423.5570000000004
TPSA？: 86.28999999999999
MolLogP？: 4.654200000000005
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 10000.0 | nM | 10.1021/np500549g |