Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022838
PROPERTIES
| NPAID | NPA022838 |
|---|---|
| CLUSTER ID | 6995 |
| NODE ID | 4817 |
| NAME | Tryptorubin A |
| FORMULA | C49H52N8O9 |
| MOLECULAR WEIGHT (Da) | 897.0020 |
| ACCURATE MASS (Da) | 896.3857 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. CLI2509 |
| InChIKey | GKGJGIYXAKOIQL-ZPLYGQDCSA-N |
| InChI | InChI=1S/C49H52N8O9/c1-4-24(2)41-46(64)57-39(45(63)53-36(47(65)66)17-26-9-13-30(58)14-10-26)22-49(32-7-5-6-8-33(32)54-48(49)57)29-12-15-37-31(21-29)28-20-35(51-42(60)25(3)50)43(61)52-34(44(62)55-41)18-27-11-16-40(59)38(19-27)56(37)23-28/h5-16,19,21,23-25,34-36,39,41,48,54,58-59H,4,17-18,20,22,50H2,1-3H3,(H,51,60)(H,52,61)(H,53,63)(H,55,62)(H,65,66)/t24?,25-,34-,35-,36-,39-,41-,48+,49-/m0/s1 |
| SMILES | CCC(C)[C@H]1C(=O)N2[C@@H](C[C@]3([C@@H]2NC4=CC=CC=C43)C5=CC6=C(C=C5)N7C=C6C[C@@H](C(=O)N[C@@H](CC8=CC7=C(C=C8)O)C(=O)N1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC9=CC=C(C=C9)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wyche, Thomas P.; Ruzzini, Antonio C.; Schwab, Laura; Currie, Cameron R.; Clardy, Jon Tryptorubin A: A Polycyclic Peptide from a Fungus-Derived Streptomycete Journal of the American Chemical Society 2017 139 (37) 12899-12902. | ||
|---|---|---|---|
| DOI | 10.1021/jacs.7b06176 | PMID | 28853867 |
