Deacylcystodytin; N2'-(3-Hydroxy-3-methylbutanoyl)
AlkaPlorer ID: AK024371
Synonym: Cystodytin C
IUPAC Name: 3-hydroxy-3-methyl-N-[2-(12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]butanamide
Structure
SMILES: CC(C)(O)CC(=O)NCCC1=CC(=O)C2=NC=CC3=C4C=CC=CC4=NC1=C23
InChI: InChI=1S/C22H21N3O3/c1-22(2,28)12-18(27)23-9-7-13-11-17(26)21-19-15(8-10-24-21)14-5-3-4-6-16(14)25-20(13)19/h3-6,8,10-11,28H,7,9,12H2,1-2H3,(H,23,27)
InChIKey: SSVCWGOBJQUUGH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cystodytes dellechiajei | Cystodytes | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 375.4280000000001
TPSA？: 92.18
MolLogP？: 3.030000000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|