Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028532
PROPERTIES
| NPAID | NPA028532 |
|---|---|
| CLUSTER ID | 1067 |
| NODE ID | 919 |
| NAME | Cystobactamid 934-2 |
| FORMULA | C47H46N6O15 |
| MOLECULAR WEIGHT (Da) | 934.9120 |
| ACCURATE MASS (Da) | 934.3021 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Myxococcus |
| ORIGIN SPECIES | sp. (SBCy9270) |
| InChIKey | SDUQIQZQDLXYQH-UGNGEPNOSA-N |
| InChI | InChI=1S/C47H46N6O15/c1-6-25(4)68-36-23-29(46(60)61)13-21-34(36)50-44(58)33-20-22-35(39(38(33)54)67-24(2)3)51-42(56)26-7-16-31(17-8-26)49-45(59)40(66-5)37(47(62)63)52-43(57)27-9-14-30(15-10-27)48-41(55)28-11-18-32(19-12-28)53(64)65/h7-25,37,40,54H,6H2,1-5H3,(H,48,55)(H,49,59)(H,50,58)(H,51,56)(H,52,57)(H,60,61)(H,62,63)/t25?,37-,40?/m0/s1 |
| SMILES | CCC(C)OC1=C(NC(=O)C2=C(O)C(OC(C)C)=C(NC(=O)C3=CC=C(NC(=O)C(OC)[C@H](NC(=O)C4=CC=C(NC(=O)C5=CC=C([N+](=O)[O-])C=C5)C=C4)C(=O)O)C=C3)C=C2)C=CC(C(=O)O)=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hüttel S; Testolin G; Herrmann J; Planke T; Gille F; Moreno M; Stadler M; Brönstrup M; Kirschning A; Müller R Discovery and Total Synthesis of Natural Cystobactamid Derivatives with Superior Activity against Gram-Negative Pathogens. Angewandte Chemie International Edition 2017 56 (41) 12760-12764. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201705913 | PMID | 28730677 |
