Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577762 | Gold | 3 |
COMPOUND NPA003385
PROPERTIES
| NPAID | NPA003385 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Brunsvicamide C |
| FORMULA | C45H64N8O10 |
| MOLECULAR WEIGHT (Da) | 877.0530 |
| ACCURATE MASS (Da) | 876.4745 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Tychonema |
| ORIGIN SPECIES | sp. |
| InChIKey | HQMATMGVGJKSPD-MMHNDARSSA-N |
| InChI | InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1 |
| SMILES | CC[C@@H](C)[C@@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC(=O)C2=CC=CC=C2NC=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O)C(=O)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 |
