Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024659
PROPERTIES
| NPAID | NPA024659 |
|---|---|
| CLUSTER ID | 4738 |
| NODE ID | 3439 |
| NAME | Thiostrepton |
| FORMULA | C72H85N19O18S5 |
| MOLECULAR WEIGHT (Da) | 1664.9220 |
| ACCURATE MASS (Da) | 1663.4924 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | azureus |
| InChIKey | NSFFHOGKXHRQEW-DVRIZHICSA-N |
| InChI | InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15+ |
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC23CCC(=NC2C4=CSC(=N4)C(C(OC(=O)C5=NC6=C(C=CC(C6O)N1)C(=C5)C(C)O)C)NC(=O)C7=CSC(=N7)C(NC(=O)C8CSC(=N8)/C(=C\C)/NC(=O)C(NC(=O)C9=CSC3=N9)C(C)O)C(C)(C(C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Anderson B; Hodgkin DC; Viswamitra MA The structure of thiostrepton. Nature 1970 225 (5229) 233-235. | ||
|---|---|---|---|
| DOI | 10.1038/225233a0 | PMID | 5409975 |
SYNTHESES
| CITATION 1 | Nicolaou KC; Zak M; Safina BS; Estrada AA; Lee SH; Nevalainen M Total synthesis of thiostrepton. Assembly of key building blocks and completion of the synthesis. Journal of the American Chemical Society 2005 127 (31) 11176-83. DOI: 10.1021/ja052934z PMID: 16076225 | ||
|---|---|---|---|
