Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012203
PROPERTIES
| NPAID | NPA012203 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Largamide G |
| FORMULA | C60H82BrN9O18 |
| MOLECULAR WEIGHT (Da) | 1297.2650 |
| ACCURATE MASS (Da) | 1295.4961 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | sp. |
| InChIKey | TUWXFKMBPYEGHC-BYVKOCPSSA-N |
| InChI | InChI=1S/C60H82BrN9O18/c1-29(2)47(66-51(78)31(5)62-52(79)40(63-55(82)45(76)28-71)11-9-10-34-12-18-37(73)19-13-34)56(83)68-49-33(7)88-60(87)48(30(3)4)67-54(81)43(27-36-17-24-44(75)39(61)26-36)69(8)59(86)50(32(6)72)70-46(77)25-23-42(58(70)85)65-53(80)41(64-57(49)84)22-16-35-14-20-38(74)21-15-35/h12-15,17-21,24,26,29-33,40-43,45-50,71-77H,9-11,16,22-23,25,27-28H2,1-8H3,(H,62,79)(H,63,82)(H,64,84)(H,65,80)(H,66,78)(H,67,81)(H,68,83)/t31-,32-,33+,40-,41-,42-,43-,45+,46+,47-,48-,49-,50-/m0/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)Br)C)[C@H](C)O)O)CCC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCC5=CC=C(C=C5)O)NC(=O)[C@@H](CO)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Plaza, Alberto; Bewley, Carole A. Largamides A-H, Unusual Cyclic Peptides from the Marine Cyanobacterium Oscillatoria sp Journal of Organic Chemistry 2006 71 (18) 6898-6907. | ||
|---|---|---|---|
| DOI | 10.1021/jo061044e | PMID | 16930043 |
