Aeruginosin 298-B
AlkaPlorer ID: AK025675
Synonym: None
IUPAC Name: (2S,3aS,6R,7aS)-6-hydroxy-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Structure
SMILES: CC(C)C[C@@H](N=C(O)[C@H](O)CC1=CC=C(O)C=C1)C(=O)N1[C@H](C(=N)O)C[C@@H]2CC[C@@H](O)C[C@@H]21
InChI: InChI=1S/C24H35N3O6/c1-13(2)9-18(26-23(32)21(30)10-14-3-6-16(28)7-4-14)24(33)27-19-12-17(29)8-5-15(19)11-20(27)22(25)31/h3-4,6-7,13,15,17-21,28-30H,5,8-12H2,1-2H3,(H2,25,31)(H,26,32)/t15-,17+,18+,19-,20-,21+/m0/s1
InChIKey: FEBDAAYWFMTVBF-XDUBPDLBSA-N
Reference
Aeruginosins, protease inhibitors from the cyanobacterium Microcystis aeruginosa
PubChem CID: 102376881
LOTUS: LTS0226307
SuperNatural Ⅲ: SN0083208-05
{NPAtlas: NPA004140
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cyanobacterium | Geminocystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 461.55900000000025
TPSA？: 157.67
MolLogP？: 2.33257
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|