Microcin SF608
AlkaPlorer ID: AK030385
Synonym: None
IUPAC Name: (2S,3aS,6R,7aS)-N-[4-(diaminomethylideneamino)butyl]-6-hydroxy-1-[(2S)-2-[[(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Structure
SMILES: N=C(N)NCCCCN=C(O)[C@@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2N1C(=O)[C@H](CC1=CC=CC=C1)N=C(O)[C@@H](O)CC1=CC=C(O)C=C1
InChI: InChI=1S/C32H44N6O6/c33-32(34)36-15-5-4-14-35-29(42)27-18-22-10-13-24(40)19-26(22)38(27)31(44)25(16-20-6-2-1-3-7-20)37-30(43)28(41)17-21-8-11-23(39)12-9-21/h1-3,6-9,11-12,22,24-28,39-41H,4-5,10,13-19H2,(H,35,42)(H,37,43)(H4,33,34,36)/t22-,24+,25-,26-,27-,28-/m0/s1
InChIKey: HYPWKJJQJSEUDS-GFZBRZDVSA-N
Reference
Protease inhibitors from a water bloom of the cyanobacterium Microcystis aeruginosa
PubChem CID: 10793809
LOTUS: LTS0205338
SuperNatural Ⅲ: SN0139000-03
NPASS: NPC204821
{NPAtlas: NPA011020
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis sp. | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| Microcystis aeruginosa | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 608.7400000000002
TPSA？: 208.08
MolLogP？: 2.2136700000000022
Number of H-Donors: 8
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Trypsin | IC50 | 0.5 | ug.mL-1 | 10.1021/np4001152 |
| Homo sapiens | Trypsin | IC50 | 0.5 | ug.mL-1 | 10.1021/np4006844 |