Clionamide; (S)-form, Tetra-Ac
AlkaPlorer ID: AK292694
Synonym: Tetraacetylclionamide
IUPAC Name: [5-[(E)-2-[[2-acetamido-3-(6-bromo-1H-indol-3-yl)propanoyl]amino]ethenyl]-2,3-diacetyloxyphenyl] acetate
Structure
SMILES: CC(=O)NC(CC1=CNC2=CC(Br)=CC=C12)C(=O)N/C=C/C1=CC(OC(C)=O)=C(OC(C)=O)C(OC(C)=O)=C1
InChI: InChI=1S/C27H26BrN3O8/c1-14(32)31-23(11-19-13-30-22-12-20(28)5-6-21(19)22)27(36)29-8-7-18-9-24(37-15(2)33)26(39-17(4)35)25(10-18)38-16(3)34/h5-10,12-13,23,30H,11H2,1-4H3,(H,29,36)(H,31,32)/b8-7+
InChIKey: RENORPIAQHZIDC-BQYQJAHWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cliona celata | Cliona | Clionaidae | Clionaida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 600.4220000000003
TPSA？: 152.89
MolLogP？: 3.540600000000002
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|