Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027597
PROPERTIES
| NPAID | NPA027597 |
|---|---|
| CLUSTER ID | 613 |
| NODE ID | 546 |
| NAME | Brintonamide C |
| FORMULA | C50H73N7O10 |
| MOLECULAR WEIGHT (Da) | 932.1730 |
| ACCURATE MASS (Da) | 931.5419 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. |
| InChIKey | YUUZXYIURFEAIK-WJUYPRDGSA-N |
| InChI | InChI=1S/C50H73N7O10/c1-11-33(4)43(67-50(65)41(53(6)7)30-36-22-16-13-17-23-36)48(63)56-26-18-24-37(56)44(59)51-31-42(58)54(8)39(28-32(2)3)45(60)52-34(5)46(61)55(9)40(29-35-20-14-12-15-21-35)47(62)57-27-19-25-38(57)49(64)66-10/h12-17,20-23,32-34,37-41,43H,11,18-19,24-31H2,1-10H3,(H,51,59)(H,52,60)/t33-,34-,37-,38-,39-,40+,41-,43+/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](OC(=O)[C@H](CC1=CC=CC=C1)N(C)C)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 |
