Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003917
PROPERTIES
| NPAID | NPA003917 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Largamide E |
| FORMULA | C56H82ClN9O17 |
| MOLECULAR WEIGHT (Da) | 1188.7710 |
| ACCURATE MASS (Da) | 1187.5517 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | sp. |
| InChIKey | DDRDKAKGHUYAPS-NCLDEZEWSA-N |
| InChI | InChI=1S/C56H82ClN9O17/c1-26(2)22-38-49(75)60-37-19-21-42(72)66(54(37)80)46(30(8)68)55(81)65(10)39(24-33-16-20-40(70)35(57)23-33)50(76)63-44(28(5)6)56(82)83-31(9)45(53(79)61-38)64-52(78)43(27(3)4)62-47(73)29(7)58-48(74)36(59-51(77)41(71)25-67)13-11-12-32-14-17-34(69)18-15-32/h14-18,20,23,26-31,36-39,41-46,67-72H,11-13,19,21-22,24-25H2,1-10H3,(H,58,74)(H,59,77)(H,60,75)(H,61,79)(H,62,73)(H,63,76)(H,64,78)/t29-,30-,31+,36-,37-,38-,39-,41+,42+,43-,44-,45-,46-/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)Cl)C)[C@H](C)O)O)CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCC4=CC=C(C=C4)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 |
