Aeruginosin 205 B
AlkaPlorer ID: AK071951
Synonym: 'Aeruginosin 205-B', '', 'Aeruginosin 205A', 'Aeruginosin 205B', 'Aeruginosin 205 A'
IUPAC Name: [(2R)-1-[[(2S,3R)-1-[(2S,3aS,6S,7aS)-6-chloro-2-[4-(diaminomethylideneamino)butylcarbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methyl-1-oxo-3-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] hydrogen sulfate
Structure
SMILES: CC(C)[C@@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)[C@H](N=C(O)[C@@H](CC1=CC=CC=C1)OS(=O)(=O)O)C(=O)N1[C@H](C(O)=NCCCCNC(=N)N)C[C@@H]2CC[C@H](Cl)C[C@@H]21
InChI: InChI=1S/C34H53ClN6O12S/c1-18(2)29(52-33-28(44)27(43)24(42)17-51-33)26(40-31(46)25(53-54(48,49)50)14-19-8-4-3-5-9-19)32(47)41-22-16-21(35)11-10-20(22)15-23(41)30(45)38-12-6-7-13-39-34(36)37/h3-5,8-9,18,20-29,33,42-44H,6-7,10-17H2,1-2H3,(H,38,45)(H,40,46)(H4,36,37,39)(H,48,49,50)/t20-,21-,22-,23-,24-,25+,26-,27-,28-,29+,33-/m0/s1
InChIKey: DZCMECJEYSAXKP-UVJGZLPTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Planktothrix agardhii | Planktothrix | Microcoleaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 805.3479999999995
TPSA？: 290.14
MolLogP？: 0.8191700000000086
Number of H-Donors: 9
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|