Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028579
PROPERTIES
| NPAID | NPA028579 |
|---|---|
| CLUSTER ID | 8540 |
| NODE ID | 516 |
| NAME | Incarnatapeptin B |
| FORMULA | C39H63N9O13 |
| MOLECULAR WEIGHT (Da) | 865.9830 |
| ACCURATE MASS (Da) | 865.4545 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | PPOCPQTXIGARKU-YKLWHMBGSA-N |
| InChI | InChI=1S/C39H63N9O13/c1-19(2)30-29(44-37(56)38(7,57)39-15-14-24(22(5)60-39)23(6)61-39)35(54)47-27(13-10-18-42-47)34(53)48(58)20(3)32(51)46-26(12-9-17-41-46)33(52)45-25(11-8-16-40-45)31(50)43-28(21(4)49)36(55)59-30/h19-30,40-42,49,57-58H,8-18H2,1-7H3,(H,43,50)(H,44,56)/t20-,21+,22+,23+,24?,25-,26+,27+,28-,29-,30-,38+,39?/m0/s1 |
| SMILES | CC(C)[C@@H]1OC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C(=O)[C@H](C)N(O)C(=O)[C@H]2CCCNN2C(=O)[C@H]1NC(=O)[C@@](C)(O)C12CCC([C@@H](C)O1)[C@@H](C)O2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Morgan KD; Williams DE; Patrick BO; Remigy M; Banuelos CA; Sadar MD; Ryan KS; Andersen RJ Incarnatapeptins A and B, Nonribosomal Peptides Discovered Using Genome Mining and 1H/15N HSQC-TOCSY. Organic Letters 2020 22 (11) 4053-4057. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.0c00818 | PMID | 32283033 |
