Argyrin G
AlkaPlorer ID: AK043750
Synonym: None
IUPAC Name: (4S,7S,13R,22R)-13-ethyl-22-(hydroxymethyl)-4-(1H-indol-3-ylmethyl)-7-[(4-methoxy-1H-indol-3-yl)methyl]-18-methyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone
Structure
SMILES: C=C1N=C(O)[C@@H](CC)N=C(O)CN=C(O)[C@H](CC2=CNC3=CC=CC(OC)=C23)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)C2=CSC(=N2)[C@@H](CO)N=C(O)CN(C)C1=O
InChI: InChI=1S/C41H46N10O9S/c1-5-25-37(56)45-21(2)41(59)51(3)18-34(54)47-30(19-52)40-50-31(20-61-40)39(58)49-29(13-22-15-42-26-10-7-6-9-24(22)26)38(57)48-28(36(55)44-17-33(53)46-25)14-23-16-43-27-11-8-12-32(60-4)35(23)27/h6-12,15-16,20,25,28-30,42-43,52H,2,5,13-14,17-19H2,1,3-4H3,(H,44,55)(H,45,56)(H,46,53)(H,47,54)(H,48,57)(H,49,58)/t25-,28+,29+,30-/m1/s1
InChIKey: JPZANUPQKYWILL-ZBBWKFRYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Gephyra | Pyralidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 854.9469999999999
TPSA？: 289.78
MolLogP？: 5.221700000000005
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | IC50 | 4.0 | ug.mL-1 | 10.1021/acs.jmedchem.5b01698 |