Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021984
PROPERTIES
| NPAID | NPA021984 |
|---|---|
| CLUSTER ID | 283 |
| NODE ID | 257 |
| NAME | Dehydrated antipain |
| FORMULA | C27H42N10O5 |
| MOLECULAR WEIGHT (Da) | 586.6980 |
| ACCURATE MASS (Da) | 586.3340 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. L-91-3 |
| InChIKey | OEFDXGHEALUNEP-ACRUOGEOSA-N |
| InChI | InChI=1S/C27H42N10O5/c1-16(2)21(23(39)33-18-10-7-13-37(15-18)26(30)31)36-22(38)19(11-6-12-32-25(28)29)34-27(42)35-20(24(40)41)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,19-21H,6-7,10-14H2,1-2H3,(H3,30,31)(H,33,39)(H,36,38)(H,40,41)(H4,28,29,32)(H2,34,35,42)/t19-,20-,21-/m0/s1 |
| SMILES | CC(C)[C@@H](C(=O)NC1=CN(CCC1)C(=N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Aguda AH; Lavallee V; Cheng P; Bott TM; Meimetis LG; Law S; Nguyen NT; Williams DE; Kaleta J; Villanueva I; Davies J; Andersen RJ; Brayer GD; Brömme D Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts. Journal of Natural Products 2016 79 (8) 1962-1970. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.6b00215 | PMID | 27498895 |
