57992-62-8
AlkaPlorer ID: AK093201
Synonym: None
IUPAC Name: methyl 3-tricosyl-1H-pyrrole-2-carboxylate
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC1=C(C(=O)OC)NC=C1
InChI: InChI=1S/C29H53NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25-26-30-28(27)29(31)32-2/h25-26,30H,3-24H2,1-2H3
InChIKey: ZEBYUBYYJKSFRD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Oscarella lobularis | Oscarella | Oscarellidae | Homosclerophorida | Homoscleromorpha | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 447.7480000000002
TPSA？: 42.09
MolLogP？: 9.5558
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|