Diplamine; N-De-Ac, N-(3-methylbutanoyl)
AlkaPlorer ID: AK059826
Synonym: Lissoclin A
IUPAC Name: 3-methyl-N-[2-(11-methylsulfanyl-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: CSC1=C(CCNC(=O)CC(C)C)C2=NC3=CC=CC=C3C3=CC=NC(=C23)C1=O
InChI: InChI=1S/C23H23N3O2S/c1-13(2)12-18(27)24-10-9-16-20-19-15(14-6-4-5-7-17(14)26-20)8-11-25-21(19)22(28)23(16)29-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,24,27)
InChIKey: CYSORIPWPDCIMV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Didemnum sp. | Didemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| None | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| None | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 405.52300000000014
TPSA？: 71.95
MolLogP？: 4.605800000000004
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|