Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577673 | Gold | 3 |
COMPOUND NPA015320
PROPERTIES
| NPAID | NPA015320 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Brunsvicamide B |
| FORMULA | C46H66N8O8 |
| MOLECULAR WEIGHT (Da) | 859.0820 |
| ACCURATE MASS (Da) | 858.5004 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Tychonema |
| ORIGIN SPECIES | sp. |
| InChIKey | CLAPAZQQSRVIAI-IRIVFKDGSA-N |
| InChI | InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)N[C@@H](C(=O)O)[C@H](C)CC)CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=C[NH]C3=CC=CC=C23)N(C)C(=O)[C@H](CC(C)C)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Müller, Daniela; Krick, Anja; Kehraus, Stefan; Mehner, Christian; Hart, Mark; Küpper, Frithjof C; Saxena, Krishna; Prinz, Heino; Schwalbe, Harald; Janning, Petra; Waldmann, Herbert; König, Gabriele M Brunsvicamides A-C: sponge-related cyanobacterial peptides with Mycobacterium tuberculosis protein tyrosine phosphatase inhibitory activity Journal of Medicinal Chemistry 2006 49 (16) 4871-4878. | ||
|---|---|---|---|
| DOI | 10.1021/jm060327w | PMID | 16884299 |
