Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022512
PROPERTIES
| NPAID | NPA022512 |
|---|---|
| CLUSTER ID | 613 |
| NODE ID | 546 |
| NAME | Grassystatin F |
| FORMULA | C59H91N9O13 |
| MOLECULAR WEIGHT (Da) | 1134.4270 |
| ACCURATE MASS (Da) | 1133.6736 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | FVCUETVFTFPUEO-CHLGYZHBSA-N |
| InChI | InChI=1S/C59H91N9O13/c1-14-37(6)51(54(74)61-38(7)55(75)67(12)46(32-40-22-17-15-18-23-40)57(77)68-29-21-26-45(68)58(78)80-13)64-50(71)34-48(69)42(30-35(2)3)62-53(73)44(27-28-49(60)70)66(11)56(76)43(31-36(4)5)63-52(72)39(8)81-59(79)47(65(9)10)33-41-24-19-16-20-25-41/h15-20,22-25,35-39,42-48,51,69H,14,21,26-34H2,1-13H3,(H2,60,70)(H,61,74)(H,62,73)(H,63,72)(H,64,71)/t37-,38-,39-,42-,43-,44-,45-,46+,47-,48-,51-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)OC)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)OC(=O)[C@H](CC3=CC=CC=C3)N(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Al-Awadhi, Fatma H.; Law, Brian K.; Paul, Valerie J.; Luesch, Hendrik Grassystatins D-F, Potent Aspartic Protease Inhibitors from Marine Cyanobacteria as Potential Antimetastatic Agents Targeting Invasive Breast Cancer Journal of Natural Products 2017 80 (11) 2969-2986. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.7b00551 | PMID | 29087712 |
