Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022510
PROPERTIES
| NPAID | NPA022510 |
|---|---|
| CLUSTER ID | 613 |
| NODE ID | 546 |
| NAME | Grassystatin D |
| FORMULA | C48H78N8O12 |
| MOLECULAR WEIGHT (Da) | 959.1960 |
| ACCURATE MASS (Da) | 958.5739 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | LRAVCRYIDZOXGD-YACSFGTRSA-N |
| InChI | InChI=1S/C48H78N8O12/c1-12-29(6)41(44(63)50-30(7)45(64)55(10)37(25-32-17-14-13-15-18-32)47(66)56-22-16-19-36(56)48(67)68-11)53-40(60)26-38(58)33(23-27(2)3)51-43(62)35(20-21-39(49)59)54(9)46(65)34(24-28(4)5)52-42(61)31(8)57/h13-15,17-18,27-31,33-38,41,57-58H,12,16,19-26H2,1-11H3,(H2,49,59)(H,50,63)(H,51,62)(H,52,61)(H,53,60)/t29-,30-,31-,33-,34-,35-,36-,37+,38-,41-/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)O)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 |
