Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009873
PROPERTIES
| NPAID | NPA009873 |
|---|---|
| CLUSTER ID | 1067 |
| NODE ID | 919 |
| NAME | Cystobactamid 919-2 |
| FORMULA | C46H45N7O14 |
| MOLECULAR WEIGHT (Da) | 919.9010 |
| ACCURATE MASS (Da) | 919.3024 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cystobacter |
| ORIGIN SPECIES | sp. Cbv34 |
| InChIKey | HPDAHGRYYHSHHB-YFXFWNCGSA-N |
| InChI | InChI=1S/C46H45N7O14/c1-23(2)66-35-22-28(46(61)62)12-20-33(35)50-44(59)32-19-21-34(38(37(32)54)67-24(3)4)51-42(57)25-6-15-30(16-7-25)49-45(60)36(39(65-5)40(47)55)52-43(58)26-8-13-29(14-9-26)48-41(56)27-10-17-31(18-11-27)53(63)64/h6-24,36,39,54H,1-5H3,(H2,47,55)(H,48,56)(H,49,60)(H,50,59)(H,51,57)(H,52,58)(H,61,62)/t36-,39+/m0/s1 |
| SMILES | CO[C@@H](C(N)=O)[C@H](NC(=O)C1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1)C(=O)NC1=CC=C(C(=O)NC2=C(OC(C)C)C(O)=C(C(=O)NC3=C(OC(C)C)C=C(C(=O)O)C=C3)C=C2)C=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Baumann, Sascha; Herrmann, Jennifer; Raju, Ritesh; Steinmetz, Heinrich; Mohr, Kathrin I.; Hüttel, Stephan; Harmrolfs, Kirsten; Stadler, Marc; Müller, Rolf Cystobactamids: Myxobacterial topoisomerase inhibitors exhibiting potent antibacterial activity Angewandte Chemie International Edition 2014 53 (52) 14605-14609. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201409964 | PMID | 25510965 |
SYNTHESES
| CITATION 1 | Cheng B; Müller R; Trauner D Total Syntheses of Cystobactamids and Structural Confirmation of Cystobactamid 919-2. Angewandte Chemie International Edition 2017 56 (41) 12755-12759. DOI: 10.1002/anie.201705387 PMID: 28731542 | ||
|---|---|---|---|
