Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015455
PROPERTIES
| NPAID | NPA015455 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | BI-32169 |
| FORMULA | C95H125N23O24S2 |
| MOLECULAR WEIGHT (Da) | 2037.3160 |
| ACCURATE MASS (Da) | 2035.8709 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. (DSM 14996) |
| InChIKey | AIWISRBXXSPKOW-VJFZWUEESA-N |
| InChI | InChI=1S/C95H125N23O24S2/c1-7-48(4)78-93(139)117-30-14-24-69(117)87(133)102-43-76(124)104-61(34-52-39-98-58-22-12-9-19-55(52)58)83(129)107-63(36-73(96)121)84(130)114-79(50(6)120)94(140)118-31-17-27-72(118)89(135)110-62(35-53-40-99-59-23-13-10-20-56(53)59)82(128)103-49(5)80(126)112-68(95(141)142)46-144-143-45-67-92(138)116-29-16-26-71(116)90(136)111-66(44-119)86(132)108-64(85(131)113-78)37-74(122)100-41-75(123)105-65(32-47(2)3)91(137)115-28-15-25-70(115)88(134)109-60(81(127)101-42-77(125)106-67)33-51-38-97-57-21-11-8-18-54(51)57/h8-13,18-23,38-40,47-50,60-72,78-79,97-99,119-120H,7,14-17,24-37,41-46H2,1-6H3,(H2,96,121)(H,100,122)(H,101,127)(H,102,133)(H,103,128)(H,104,124)(H,105,123)(H,106,125)(H,107,129)(H,108,132)(H,109,134)(H,110,135)(H,111,136)(H,112,126)(H,113,131)(H,114,130)(H,141,142)/t48-,49-,50+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,78-,79-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@@H](CC(=O)NCC(=O)N[C@H](C(=O)N6CCC[C@H]6C(=O)N[C@H](C(=O)NCC(=O)N4)CC7=CNC8=CC=CC=C87)CC(C)C)C(=O)N1)CO)C(=O)O)C)CC9=CNC1=CC=CC=C19)[C@@H](C)O)CC(=O)N)CC1=CNC2=CC=CC=C21 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Potterat, Olivier; Wagner, Klaus; Gemmecker, Gerd; Mack, Jürgen; Puder, Carsten; Vettermann, Regine; Streicher, Rüdiger BI-32169, a Bicyclic 19-Peptide with Strong Glucagon Receptor Antagonist Activity from Streptomyces sp Journal of Natural Products 2004 67 (9) 1528-1531. | ||
|---|---|---|---|
| DOI | 10.1021/np040093o | PMID | 15387654 |
SYNTHESES
| CITATION 1 | Chen M; Wang S; Yu X Cryptand-imidazolium supported total synthesis of the lasso peptide BI-32169 and its d-enantiomer. Chemical Communications 2019 55 (23) 3323-3326. DOI: 10.1039/c8cc10301a PMID: 30719511 | ||
|---|---|---|---|
