Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018674
PROPERTIES
| NPAID | NPA018674 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Oscillapeptin E |
| FORMULA | C55H75N7O17S |
| MOLECULAR WEIGHT (Da) | 1138.3040 |
| ACCURATE MASS (Da) | 1137.4940 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | agardhii |
| InChIKey | IPSPUQFSLMOERD-GTMVTISVSA-N |
| InChI | InChI=1S/C55H75N7O17S/c1-8-31(3)45-55(73)79-33(5)46(60-49(67)40(26-20-35-17-23-38(64)24-18-35)56-51(69)43(77-7)30-78-80(74,75)76)52(70)57-39(25-19-34-15-21-37(63)22-16-34)48(66)58-41-27-28-44(65)62(53(41)71)47(32(4)9-2)54(72)61(6)42(50(68)59-45)29-36-13-11-10-12-14-36/h10-18,21-24,31-33,39-47,63-65H,8-9,19-20,25-30H2,1-7H3,(H,56,69)(H,57,70)(H,58,66)(H,59,68)(H,60,67)(H,74,75,76)/t31-,32-,33+,39-,40+,41-,42-,43+,44?,45-,46-,47-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CCC(N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=CC=C3)C)[C@@H](C)CC)O)CCC4=CC=C(C=C4)O)NC(=O)[C@@H](CCC5=CC=C(C=C5)O)NC(=O)[C@@H](COS(=O)(=O)O)OC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Itou, Yusai; Ishida, Keishi; Shin, Hee Jae; Murakami, Masahiro Oscillapeptins A to F, serine protease inhibitors from the three strains of Oscillatoria agardhii Tetrahedron 1999 55 (22) 6871-6882. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(99)00341-5 | PMID | - |
