Aeruginosin GE642
AlkaPlorer ID: AK040075
Synonym: None
IUPAC Name: (2S,3aS,6R,7aS)-N-[4-(diaminomethylideneamino)butyl]-1-[(2R)-2-[[(2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoyl]amino]-3-methylbutanoyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Structure
SMILES: CC(C)[C@@H](N=C(O)[C@H](O)CC1=CC(Cl)=C(O)C(Cl)=C1)C(=O)N1[C@H](C(O)=NCCCCNC(=N)N)C[C@@H]2CC[C@@H](O)C[C@@H]21
InChI: InChI=1S/C28H42Cl2N6O6/c1-14(2)23(35-26(41)22(38)11-15-9-18(29)24(39)19(30)10-15)27(42)36-20-13-17(37)6-5-16(20)12-21(36)25(40)33-7-3-4-8-34-28(31)32/h9-10,14,16-17,20-23,37-39H,3-8,11-13H2,1-2H3,(H,33,40)(H,35,41)(H4,31,32,34)/t16-,17+,20-,21-,22+,23+/m0/s1
InChIKey: RJHHUDDUXVNIOD-LILNBFRISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis aeruginosa | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 629.586
TPSA？: 208.08
MolLogP？: 2.933770000000001
Number of H-Donors: 8
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|