Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023792
PROPERTIES
| NPAID | NPA023792 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Medusamide A |
| FORMULA | C44H79N5O9 |
| MOLECULAR WEIGHT (Da) | 822.1420 |
| ACCURATE MASS (Da) | 821.5878 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | ZGUPGLAEKHCUSL-WLHCDTGTSA-N |
| InChI | InChI=1S/C44H79N5O9/c1-15-19-31-28(12)39(51)47-33(21-17-3)30(14)41(53)49-36(25(7)8)43(55)58-37(26(9)10)44(56)57-35(23-24(5)6)42(54)48-34(22-18-4)29(13)40(52)46-32(20-16-2)27(11)38(50)45-31/h24-37H,15-23H2,1-14H3,(H,45,50)(H,46,52)(H,47,51)(H,48,54)(H,49,53)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+/m1/s1 |
| SMILES | CCC[C@@H]1[C@H](C(=O)N[C@@H]([C@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)O[C@@H](C(=O)N[C@@H]([C@H](C(=O)N[C@@H]([C@H](C(=O)N1)C)CCC)C)CCC)CC(C)C)C(C)C)C(C)C)C)CCC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fenner, Amanda M.; Engene, Niclas; Spadafora, Carmenza; Gerwick, William H.; Balunas, Marcy J. Medusamide a, a panamanian cyanobacterial depsipeptide with multiple β-amino acids Organic Letters 2016 18 (3) 352-355. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.5b03110 | PMID | 26784681 |
