Xeneamatide
AlkaPlorer ID: AK019442
Synonym: None
IUPAC Name: N-[(2R,3S,6S,9S)-6,9-bis(1H-indol-3-ylmethyl)-2-methyl-4,7,10,14-tetraoxo-1-oxa-5,8,11-triazacyclotetradec-3-yl]-2-phenylacetamide
Structure
SMILES: C[C@H]1OC(=O)CCN=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@H]1N=C(O)CC1=CC=CC=C1
InChI: InChI=1S/C37H38N6O6/c1-22-34(43-32(44)17-23-9-3-2-4-10-23)37(48)42-31(19-25-21-40-29-14-8-6-12-27(25)29)36(47)41-30(35(46)38-16-15-33(45)49-22)18-24-20-39-28-13-7-5-11-26(24)28/h2-14,20-22,30-31,34,39-40H,15-19H2,1H3,(H,38,46)(H,41,47)(H,42,48)(H,43,44)/t22-,30+,31+,34+/m1/s1
InChIKey: OHLKJNUNPSYJEE-INFLTFPSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 662.7470000000002
TPSA？: 188.24
MolLogP？: 5.944300000000005
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 10.0 | ug.mL-1 | 10.1021/np800053n |
| Erwinia amylovora | Erwinia amylovora | MIC | 10.0 | ug.mL-1 | 10.1021/np800053n |
| Galleria mellonella | Galleria mellonella | Activity | nan | None | 10.1021/np800053n |
| Pseudomonas fluorescens | Pseudomonas fluorescens | MIC | 10.0 | ug.mL-1 | 10.1021/np800053n |
| Pseudomonas syringae | Pseudomonas syringae | MIC | 10.0 | ug.mL-1 | 10.1021/np800053n |
| Ralstonia solanacearum | Ralstonia solanacearum | MIC | 10.0 | ug.mL-1 | 10.1021/np800053n |