Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027600
PROPERTIES
| NPAID | NPA027600 |
|---|---|
| CLUSTER ID | 613 |
| NODE ID | 546 |
| NAME | Brintonamide A |
| FORMULA | C39H60N6O9 |
| MOLECULAR WEIGHT (Da) | 756.9420 |
| ACCURATE MASS (Da) | 756.4422 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. |
| InChIKey | VTNRKBDEFHTOLI-IUEZVBNUSA-N |
| InChI | InChI=1S/C39H60N6O9/c1-9-25(4)33(47)38(52)44-19-13-17-28(44)34(48)40-23-32(46)42(6)30(21-24(2)3)35(49)41-26(5)36(50)43(7)31(22-27-15-11-10-12-16-27)37(51)45-20-14-18-29(45)39(53)54-8/h10-12,15-16,24-26,28-31,33,47H,9,13-14,17-23H2,1-8H3,(H,40,48)(H,41,49)/t25-,26-,28-,29-,30-,31+,33+/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Al-Awadhi FH; Gao B; Rezaei MA; Kwan JC; Li C; Ye T; Paul VJ; Luesch H Discovery, Synthesis, Pharmacological Profiling, and Biological Characterization of Brintonamides A-E, Novel Dual Protease and GPCR Modulators from a Marine Cyanobacterium. Journal of Medicinal Chemistry 2018 61 (14) 6364-6378. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jmedchem.8b00885 | PMID | 30015488 |
