Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027292
PROPERTIES
| NPAID | NPA027292 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Tutuilamide A |
| FORMULA | C51H69ClN8O12 |
| MOLECULAR WEIGHT (Da) | 1021.6100 |
| ACCURATE MASS (Da) | 1020.4723 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Schizothrix |
| ORIGIN SPECIES | sp. |
| InChIKey | CWLDDHHTMAJFMM-LKVOOIPRSA-N |
| InChI | InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/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@@H](C)CC)[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 |
