Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020114
PROPERTIES
| NPAID | NPA020114 |
|---|---|
| CLUSTER ID | 6389 |
| NODE ID | 4422 |
| NAME | Capreomycin IB |
| FORMULA | C25H44N14O7 |
| MOLECULAR WEIGHT (Da) | 652.7180 |
| ACCURATE MASS (Da) | 652.3517 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | capreolus |
| InChIKey | FRXNXDHFQYZYNA-XYHSJSFUSA-N |
| InChI | InChI=1S/C25H44N14O7/c1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b16-10-/t11-,12+,13-,14+,15-,18-/m0/s1 |
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N[C@H](C(=O)NC[C@@H](C(=O)N1)N)[C@H]2CCN=C(N2)N)CNC(=O)C[C@@H](CCCN)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bycroft, BW; Cameron, D; Croft, LR; Hassanali-Walkji, A; Johnson, AW; Webb, T Total Structure of Capreomycin IB, a Tuberculostatic Peptide Antibiotic Nature 1971 231 301-302. | ||
|---|---|---|---|
| DOI | 10.1038/231301a0 | PMID | 4325287 |
SYNTHESES
| CITATION 1 | DeMong DE; Williams RM Asymmetric synthesis of (2S,3R)-capreomycidine and the total synthesis of capreomycin IB. Journal of the American Chemical Society 2003 125 (28) 8561-5. DOI: 10.1021/ja0351241 PMID: 12848564 | ||
|---|---|---|---|
