Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032097
PROPERTIES
| NPAID | NPA032097 |
|---|---|
| CLUSTER ID | 1167 |
| NODE ID | 141 |
| NAME | Huascopeptin |
| FORMULA | C65H87N17O19 |
| MOLECULAR WEIGHT (Da) | 1410.5110 |
| ACCURATE MASS (Da) | 1409.6364 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | huasconensis |
| InChIKey | LXYAQYDBAYTWEV-WLLWKZKDSA-N |
| InChI | InChI=1S/C65H87N17O19/c1-33(2)21-42(61(96)81-48(65(100)101)23-35-11-5-4-6-12-35)74-54(89)30-72-58(93)45(25-50(67)85)79-59(94)41(15-9-10-20-66)77-64(99)49(32-83)82-63(98)47-27-52(87)70-29-53(88)75-43(22-36-16-18-38(84)19-17-36)57(92)71-31-55(90)76-46(26-51(68)86)60(95)73-34(3)56(91)78-44(62(97)80-47)24-37-28-69-40-14-8-7-13-39(37)40/h4-8,11-14,16-19,28,33-34,41-49,69,83-84H,9-10,15,20-27,29-32,66H2,1-3H3,(H2,67,85)(H2,68,86)(H,70,87)(H,71,92)(H,72,93)(H,73,95)(H,74,89)(H,75,88)(H,76,90)(H,77,99)(H,78,91)(H,79,94)(H,80,97)(H,81,96)(H,82,98)(H,100,101)/t34-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CC(=O)NCC(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cortés-Albayay, Carlos; Jarmusch, Scott A; Trusch, Franziska; Ebel, Rainer; Andrews, Barbara A; Jaspars, Marcel; Asenjo, Juan A Downsizing Class II Lasso Peptides: Genome Mining-Guided Isolation of Huascopeptin Containing the First Gly1-Asp7 Macrocycle. Journal of Organic Chemistry 2020 85 (3) 1661-1667. | ||
|---|---|---|---|
| DOI | 10.1021/acs.joc.9b02231 | PMID | 31931565 |
