Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027294
PROPERTIES
| NPAID | NPA027294 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Tutuilamide C |
| FORMULA | C48H64ClN7O11 |
| MOLECULAR WEIGHT (Da) | 950.5310 |
| ACCURATE MASS (Da) | 949.4352 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Schizothrix |
| ORIGIN SPECIES | sp. |
| InChIKey | ACRBPKVYYHBULA-XUHCOFKKSA-N |
| InChI | InChI=1S/C48H64ClN7O11/c1-9-29(25-49)24-37(58)52-39(26(3)4)44(62)54-41-28(7)67-48(66)40(27(5)6)53-43(61)35(22-31-16-18-32(57)19-17-31)55(8)47(65)36(23-30-14-12-11-13-15-30)56-38(59)21-20-34(46(56)64)51-42(60)33(10-2)50-45(41)63/h10-19,25-28,34-36,38-41,57,59H,9,20-24H2,1-8H3,(H,50,63)(H,51,60)(H,52,58)(H,53,61)(H,54,62)/b29-25+,33-10-/t28-,34+,35+,36+,38-,39+,40+,41+/m1/s1 |
| SMILES | C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C(=C/Cl)CC)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)N2C(=O)[C@H](CC[C@H]2O)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Keller L; Canuto KM; Liu C; Suzuki BM; Almaliti J; Sikandar A; Naman CB; Glukhov E; Luo D; Duggan BM; Luesch H; Koehnke J; O'Donoghue AJ; Gerwick WH Tutuilamides A-C: Vinyl-Chloride-Containing Cyclodepsipeptides from Marine Cyanobacteria with Potent Elastase Inhibitory Properties. ACS Chemical Biology 2020 15 (3) 751-757. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.9b00992 | PMID | 31935054 |
