Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027293
PROPERTIES
| NPAID | NPA027293 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Tutuilamide B |
| FORMULA | C50H67ClN8O12 |
| MOLECULAR WEIGHT (Da) | 1007.5830 |
| ACCURATE MASS (Da) | 1006.4567 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Schizothrix |
| ORIGIN SPECIES | sp. |
| InChIKey | PYLRNHULHGBIRT-AQSLWEGCSA-N |
| InChI | InChI=1S/C50H67ClN8O12/c1-10-34-44(64)54-35-20-21-39(62)59(48(35)68)37(24-31-14-12-11-13-15-31)49(69)58(9)36(23-32-16-18-33(60)19-17-32)45(65)56-41(27(4)5)50(70)71-30(8)42(47(67)53-34)57-46(66)40(26(2)3)55-43(63)29(7)52-38(61)22-28(6)25-51/h10-19,25-27,29-30,35-37,39-42,60,62H,20-24H2,1-9H3,(H,52,61)(H,53,67)(H,54,64)(H,55,63)(H,56,65)(H,57,66)/b28-25+,34-10-/t29-,30+,35-,36-,37-,39+,40-,41-,42-/m0/s1 |
| SMILES | C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C/C(C)=C/Cl)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 |
