Argyrin D
AlkaPlorer ID: AK043715
Synonym: None
IUPAC Name: (4S,7S,13R,22R)-13-ethyl-4-(1H-indol-3-ylmethyl)-7-[(4-methoxy-2-methyl-1H-indol-3-yl)methyl]-18,22-dimethyl-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=C(C)NC3=CC=CC(OC)=C23)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)C2=CSC(=N2)[C@@H](C)N=C(O)CN(C)C1=O
InChI: InChI=1S/C42H48N10O8S/c1-7-27-38(56)47-23(4)42(59)52(5)19-35(54)46-22(3)41-51-32(20-61-41)40(58)49-30(15-24-17-43-28-12-9-8-11-25(24)28)39(57)50-31(37(55)44-18-34(53)48-27)16-26-21(2)45-29-13-10-14-33(60-6)36(26)29/h8-14,17,20,22,27,30-31,43,45H,4,7,15-16,18-19H2,1-3,5-6H3,(H,44,55)(H,46,54)(H,47,56)(H,48,53)(H,49,58)(H,50,57)/t22-,27-,30+,31+/m1/s1
InChIKey: YWFWQSOGXWSPNY-RAPHMYFOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Gephyra | Pyralidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 852.9749999999999
TPSA？: 269.55
MolLogP？: 6.557720000000006
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | IC50 | 0.14 | ug.mL-1 | 10.1021/acs.jmedchem.5b01698 |