Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012811
PROPERTIES
| NPAID | NPA012811 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Oscillapeptin B |
| FORMULA | C57H79N7O18S |
| MOLECULAR WEIGHT (Da) | 1182.3570 |
| ACCURATE MASS (Da) | 1181.5202 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | agardhii |
| InChIKey | NLQWQLCUSBPPRU-CLQLWTEMSA-N |
| InChI | InChI=1S/C57H79N7O18S/c1-10-31(3)47-57(75)82-34(6)48(62-51(69)41(23-16-35-12-19-38(65)20-13-35)58-53(71)45(80-9)30-81-83(76,77)78)54(72)59-40(24-17-36-18-26-44(66)33(5)28-36)50(68)60-42-25-27-46(67)64(55(42)73)49(32(4)11-2)56(74)63(7)43(52(70)61-47)29-37-14-21-39(79-8)22-15-37/h12-15,18-22,26,28,31-32,34,40-43,45-49,65-67H,10-11,16-17,23-25,27,29-30H2,1-9H3,(H,58,71)(H,59,72)(H,60,68)(H,61,70)(H,62,69)(H,76,77,78)/t31-,32-,34+,40-,41-,42-,43-,45+,46+,47-,48-,49-/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]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=C(C=C3)OC)C)[C@@H](C)CC)O)CCC4=CC(=C(C=C4)O)C)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 | - |
