Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013508
PROPERTIES
| NPAID | NPA013508 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Oscillapeptin |
| FORMULA | C56H77N7O18S |
| MOLECULAR WEIGHT (Da) | 1168.3300 |
| ACCURATE MASS (Da) | 1167.5046 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | agardhii (NIES-204) |
| InChIKey | MPCIPLGLKBYIIR-DZLWNQSUSA-N |
| InChI | InChI=1S/C56H77N7O18S/c1-9-31(3)46-56(74)81-33(5)47(61-50(68)41(26-18-35-13-21-38(65)22-14-35)57-52(70)44(79-8)30-80-82(75,76)77)53(71)58-40(25-17-34-11-19-37(64)20-12-34)49(67)59-42-27-28-45(66)63(54(42)72)48(32(4)10-2)55(73)62(6)43(51(69)60-46)29-36-15-23-39(78-7)24-16-36/h11-16,19-24,31-33,40-48,64-66H,9-10,17-18,25-30H2,1-8H3,(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,61,68)(H,75,76,77)/t31?,32?,33-,40?,41?,42?,43?,44?,45?,46+,47+,48+/m1/s1 |
| SMILES | CCC(C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)NC(C(=O)NC2CCC(N(C2=O)[C@H](C(=O)N(C(C(=O)N1)CC3=CC=C(C=C3)OC)C)C(C)CC)O)CCC4=CC=C(C=C4)O)NC(=O)C(CCC5=CC=C(C=C5)O)NC(=O)C(COS(=O)(=O)O)OC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shin, Hee Jae; Murakami, Masahiro; Matsuda, Hisashi; Ishida, Keishi; Yamaguchi, Katsumi Oscillapeptin, an elastase and chymotrypsin inhibitor from the cyanobacterium Oscillatoria agardhii (NIES-204) Tetrahedron Letters 1995 36 (29) 5235-5238. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4039(95)00980-Q | PMID | - |
