Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA022690
PROPERTIES
NPAID | NPA022690 |
---|---|
CLUSTER ID | 26 |
NODE ID | 25 |
NAME | Jizanpeptin C |
FORMULA | C47H75BrN8O16S |
MOLECULAR WEIGHT (Da) | 1120.1280 |
ACCURATE MASS (Da) | 1118.4205 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Symploca |
ORIGIN SPECIES | sp. |
InChIKey | FHDQVQWUFGNFOJ-DYLWGOGFSA-N |
InChI | InChI=1S/C47H75BrN8O16S/c1-11-25(5)37-47(65)72-27(7)38(54-43(61)36(24(3)4)52-42(60)34(70-10)23-71-73(66,67)68)44(62)50-30(15-13-14-20-49)40(58)51-31-17-19-35(57)56(45(31)63)39(26(6)12-2)46(64)55(8)32(41(59)53-37)22-28-16-18-33(69-9)29(48)21-28/h16,18,21,24-27,30-32,34-39,57H,11-15,17,19-20,22-23,49H2,1-10H3,(H,50,62)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,66,67,68)/t25-,26+,27+,30-,31-,32-,34+,35+,36-,37-,38-,39-/m0/s1 |
SMILES | CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC(=C(C=C3)OC)Br)C)[C@H](C)CC)O)CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](COS(=O)(=O)O)OC)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Gallegos, David A.; Saurí, Josep; Cohen, Ryan D.; Wan, Xuemei; Videau, Patrick; Vallota-Eastman, Alec O.; Shaala, Lamiaa A.; Youssef, Diaa T. A.; Williamson, R. Thomas; Martin, Gary E.; Philmus, Benjamin; Sikora, Aleksandra E.; Ishmael, Jane E.; McPhail, Kerry L. Jizanpeptins, Cyanobacterial Protease Inhibitors from a Symploca sp. Cyanobacterium Collected in the Red Sea Journal of Natural Products 2018 81 (6) 1417-1425. | ||
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DOI | 10.1021/acs.jnatprod.8b00117 | PMID | 29808677 |