Aeruginosin 98-C
AlkaPlorer ID: AK026947
Synonym: None
IUPAC Name: [(2S,3aS,6R,7aS)-1-[(2R,3R)-2-[[(2R)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxypropanoyl]amino]-3-methylpentanoyl]-2-[4-(diaminomethylideneamino)butylcarbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-6-yl] hydrogen sulfate
Structure
SMILES: CC[C@@H](C)[C@@H](N=C(O)[C@H](O)CC1=CC=C(O)C(Br)=C1)C(=O)N1[C@H](C(O)=NCCCCNC(=N)N)C[C@@H]2CC[C@@H](OS(=O)(=O)O)C[C@@H]21
InChI: InChI=1S/C29H45BrN6O9S/c1-3-16(2)25(35-27(40)24(38)13-17-6-9-23(37)20(30)12-17)28(41)36-21-15-19(45-46(42,43)44)8-7-18(21)14-22(36)26(39)33-10-4-5-11-34-29(31)32/h6,9,12,16,18-19,21-22,24-25,37-38H,3-5,7-8,10-11,13-15H2,1-2H3,(H,33,39)(H,35,40)(H4,31,32,34)(H,42,43,44)/t16-,18+,19-,21+,22+,24-,25-/m1/s1
InChIKey: JDIQMZJCZUMKHX-SBEPJQGCSA-N
Reference
Aeruginosins, protease inhibitors from the cyanobacterium Microcystis aeruginosa
PubChem CID: 11803069
LOTUS: LTS0002073
SuperNatural Ⅲ: SN0162417-03
{NPAtlas: NPA001072
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cyanobacterium | Geminocystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 733.683
TPSA？: 251.45
MolLogP？: 2.606670000000003
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|