Eusynstyelamide E
AlkaPlorer ID: AK070619
Synonym: None
IUPAC Name: (2S,3R,4S)-N-(4-aminobutyl)-3-(6-bromo-1H-indol-3-yl)-4-[(6-bromo-1H-indol-3-yl)methyl]-1-[4-(diaminomethylideneamino)butyl]-2,4-dihydroxy-5-oxopyrrolidine-2-carboxamide
Structure
SMILES: N=C(N)NCCCCN1C(=O)[C@](O)(CC2=CNC3=CC(Br)=CC=C23)[C@@H](C2=CNC3=CC(Br)=CC=C23)[C@]1(O)C(=O)NCCCCN
InChI: InChI=1S/C31H38Br2N8O4/c32-19-5-7-21-18(16-39-24(21)13-19)15-30(44)26(23-17-40-25-14-20(33)6-8-22(23)25)31(45,27(42)37-10-2-1-9-34)41(28(30)43)12-4-3-11-38-29(35)36/h5-8,13-14,16-17,26,39-40,44-45H,1-4,9-12,15,34H2,(H,37,42)(H4,35,36,38)/t26-,30+,31+/m1/s1
InChIKey: UZCOIZGXRQQQCW-JZRGNDHQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 746.5049999999998
TPSA？: 209.37
MolLogP？: 2.880770000000001
Number of H-Donors: 9
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 100.0 | ug.mL-1 | 10.1021/np100499c |
| Corynebacterium glutamicum | Corynebacterium glutamicum | MIC | 12.5 | ug.mL-1 | 10.1021/np100499c |
| Escherichia coli | Escherichia coli | MIC | 12.5 | ug.mL-1 | 10.1021/np100499c |
| Homo sapiens | A2058 | IC50 | 114300.0 | nM | 10.1021/np100499c |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 25.0 | ug.mL-1 | 10.1021/np100499c |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 12.5 | ug.mL-1 | 10.1021/np100499c |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 20.0 | ug.mL-1 | 10.1021/np100499c |