Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004099
PROPERTIES
| NPAID | NPA004099 |
|---|---|
| CLUSTER ID | 2173 |
| NODE ID | 1733 |
| NAME | FR-134043 |
| FORMULA | C47H63N9O19S2 |
| MOLECULAR WEIGHT (Da) | 1122.1990 |
| ACCURATE MASS (Da) | 1121.3682 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | resistomicificus |
| InChIKey | RETKWIVQHNMQFV-GMBPIDLWSA-N |
| InChI | InChI=1S/C47H63N9O19S2/c1-8-28-40(59)51-30-16-17-36(57)56(44(30)63)33(19-26-13-10-9-11-14-26)45(64)55(7)32-20-27-21-34(74-76(67,68)69)35(75-77(70,71)72)22-31(27)52-47(66)48-18-12-15-29(50-39(58)24(4)5)41(60)54-38(43(62)49-28)25(6)73-46(65)37(23(2)3)53-42(32)61/h8-11,13-14,21-25,29-30,32-33,36-38,57H,12,15-20H2,1-7H3,(H,49,62)(H,50,58)(H,51,59)(H,53,61)(H,54,60)(H2,48,52,66)(H,67,68,69)(H,70,71,72)/b28-8-/t25?,29?,30-,32-,33?,36+,37?,38?/m0/s1 |
| SMILES | C/C=C\1/C(=O)N[C@H]2CC[C@H](N(C2=O)C(C(=O)N([C@H]3CC4=CC(=C(C=C4NC(=O)NCCCC(C(=O)NC(C(OC(=O)C(NC3=O)C(C)C)C)C(=O)N1)NC(=O)C(C)C)OS(=O)(=O)O)OS(=O)(=O)O)C)CC5=CC=CC=C5)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Nakanishi, I; Fujikawa, A; Imai, K; Sato, A 1H-NMR determination of the solution structure and absolute configuration of FR134043, a novel inhibitor of human leukocyte elastase Journal of Peptide Research 2000 55 (2) 120-128. | ||
|---|---|---|---|
| DOI | 10.1034/j.1399-3011.2000.00165.x | PMID | 10784028 |
