Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008151
PROPERTIES
| NPAID | NPA008151 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Kempopeptin A |
| FORMULA | C50H70N8O13 |
| MOLECULAR WEIGHT (Da) | 991.1530 |
| ACCURATE MASS (Da) | 990.5062 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | sp. |
| InChIKey | NGRWMTIDCSTQOO-XADDPKOHSA-N |
| InChI | InChI=1S/C50H70N8O13/c1-26(2)23-35-43(63)51-34-20-21-39(62)58(48(34)68)38(25-31-13-10-9-11-14-31)49(69)56(8)37(24-32-16-18-33(61)19-17-32)45(65)53-40(27(3)4)50(70)71-29(6)42(47(67)52-35)55-46(66)41(28(5)59)54-44(64)36-15-12-22-57(36)30(7)60/h9-11,13-14,16-19,26-29,34-42,59,61-62H,12,15,20-25H2,1-8H3,(H,51,63)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t28-,29-,34+,35+,36+,37+,38+,39-,40+,41+,42+/m1/s1 |
| SMILES | C[C@@H]1[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)N[C@H](C(=O)O1)C(C)C)CC3=CC=C(C=C3)O)C)CC4=CC=CC=C4)O)CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]5CCCN5C(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Taori, Kanchan; Paul, Valerie J.; Luesch, Hendrik Kempopeptins A and B, serine protease inhibitors with different selectivity profiles from a marine cyanobacterium, Lyngbya sp Journal of Natural Products 2008 71 (9) 1625-1629. | ||
|---|---|---|---|
| DOI | 10.1021/np8002172 | PMID | 18693761 |
