Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008819
PROPERTIES
| NPAID | NPA008819 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Bacillamide C |
| FORMULA | C18H20N4O2S |
| MOLECULAR WEIGHT (Da) | 356.4510 |
| ACCURATE MASS (Da) | 356.1307 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | endophyticus |
| InChIKey | NNOWKGATWUOFNF-NSHDSACASA-N |
| InChI | InChI=1S/C18H20N4O2S/c1-11(21-12(2)23)18-22-16(10-25-18)17(24)19-8-7-13-9-20-15-6-4-3-5-14(13)15/h3-6,9-11,20H,7-8H2,1-2H3,(H,19,24)(H,21,23)/t11-/m0/s1 |
| SMILES | CC(=O)N[C@@H](C)C1=NC(C(=O)NCCC2=CNC3=CC=CC=C23)=CS1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Socha, Aaron M; Long, Richard A; Rowley, David C Bacillamides from a hypersaline microbial mat bacterium Journal of Natural Products 2007 70 (11) 1793-1795. | ||
|---|---|---|---|
| DOI | 10.1021/np070126a | PMID | 17988095 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@H](C1=NC(=CS1)C(=O)NCCC2=CNC3=CC=CC=C32)NC(=O)C | Socha, Aaron M; Long, Richard A; Rowley, David C Bacillamides from a hypersaline microbial mat bacterium Journal of Natural Products 2007 70 (11) 1793-1795. DOI: 10.1021/np070126a PMID: 17988095 | ||
| 2 | CC(=O)N[C@@H](C)C1=NC(C(=O)NCCC2=CNC3=CC=CC=C23)=CS1 | Martínez, Verónica; Davyt, Danilo Total syntheses of bacillamide C and neobacillamide A; revision of their absolute configurations Tetrahedron: Asymmetry 2013 24 (24) 1572-1575. DOI: 10.1016/j.tetasy.2013.11.001 | ||
