Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00006112534 | Gold | 3 |
COMPOUND NPA016046
PROPERTIES
| NPAID | NPA016046 |
|---|---|
| CLUSTER ID | 1234 |
| NODE ID | 1047 |
| NAME | JBIR-126 |
| FORMULA | C24H30ClN5O7 |
| MOLECULAR WEIGHT (Da) | 535.9850 |
| ACCURATE MASS (Da) | 535.1834 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. NBRC 111228 |
| InChIKey | DNRWOARHBKGXQM-NMKZSIDYSA-N |
| InChI | InChI=1S/C24H30ClN5O7/c1-23(10-31,22(35)36)28-19(33)18(14-5-4-6-26-14)27-21(34)24(2)11-37-20(29-24)13-9-30(3)15-7-12(25)8-16(32)17(13)15/h7-9,14,18,26,31-32H,4-6,10-11H2,1-3H3,(H,27,34)(H,28,33)(H,35,36)/t14-,18+,23?,24+/m1/s1 |
| SMILES | C[C@]1(COC(=N1)C2=CN(C3=CC(=CC(=C32)O)Cl)C)C(=O)N[C@@H]([C@H]4CCCN4)C(=O)NC(C)(CO)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Izumikawa, Miho; Kawahara, Teppei; Kagaya, Noritaka; Yamamura, Hideki; Hayakawa, Masayuki; Takagi, Motoki; Yoshida, Masahito; Doi, Takayuki; Shin-ya, Kazuo Pyrrolidine-containing peptides, JBIR-126, -148, and -149, from Streptomyces sp. NBRC 111228 Tetrahedron Letters 2015 56 (39) 5333-5336. | ||
|---|---|---|---|
| DOI | 10.1016/j.tetlet.2015.07.080 | PMID | - |
