Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018526
PROPERTIES
| NPAID | NPA018526 |
|---|---|
| CLUSTER ID | 6068 |
| NODE ID | 141 |
| NAME | WS9326A |
| FORMULA | C54H68N8O13 |
| MOLECULAR WEIGHT (Da) | 1037.1810 |
| ACCURATE MASS (Da) | 1036.4906 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | violaceoniger no. 9326 |
| InChIKey | BVVWVQZZLUNSNV-QMXPZCTJSA-N |
| InChI | InChI=1S/C54H68N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9-25,28,31-33,39-42,46-47,63-65H,7-8,26-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70)/b17-10-,25-22+,43-28+/t32-,33+,39-,40+,41-,42-,46-,47-/m0/s1 |
| SMILES | CCC/C=C\C1=CC=CC=C1/C=C/C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)/C(=C\C3=CC=C(C=C3)O)/N(C2=O)C)CC(C)C)CC4=CC=CC=C4)[C@H](C)O)CC(=O)N)CO)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shigematsu, Nobuharu; Hayashi, Kenichi; Kayakiri, Natsuko; Takase, Shigehiro; Hashimoto, Masashi; Tanaka, Hirokazu Structure of WS9326A, a Novel Tachykinin Antagonist from a Streptomyces Journal of Organic Chemistry 1993 58 (1) 170-175. | ||
|---|---|---|---|
| DOI | 10.1021/jo00053a032 | PMID | - |
SYNTHESES
| CITATION 1 | Shigematsu N; Kayakiri N; Okada S; Tanaka H Total synthesis of WS9326A, a potent tachykinin antagonist from Streptomyces violaceoniger. Chemical and Pharmaceutical Bulletin 1997 45 (2) 236-242. DOI: 10.1248/cpb.45.236 PMID: 9118439 | ||
|---|---|---|---|
