Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022773
PROPERTIES
| NPAID | NPA022773 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Dinghupeptin A |
| FORMULA | C48H65N9O14 |
| MOLECULAR WEIGHT (Da) | 992.0970 |
| ACCURATE MASS (Da) | 991.4651 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. SC0581 |
| InChIKey | QWIPLKRRZPLLFU-VHRUOTHWSA-N |
| InChI | InChI=1S/C48H65N9O14/c1-6-26(2)41(63)52-32(16-19-37(49)60)43(65)55-40-28(4)71-48(70)27(3)51-44(66)35(24-30-12-14-31(59)15-13-30)56(5)47(69)36(25-29-10-8-7-9-11-29)57-39(62)21-18-34(46(57)68)54-42(64)33(53-45(40)67)17-20-38(61)50-22-23-58/h6-15,27-28,32-36,39-40,58-59,62H,16-25H2,1-5H3,(H2,49,60)(H,50,61)(H,51,66)(H,52,63)(H,53,67)(H,54,64)(H,55,65)/b26-6+/t27-,28+,32-,33-,34-,35-,36-,39+,40-/m0/s1 |
| SMILES | C/C=C(\C)/C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCC(=O)NCCO)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yang, Li; Li, Hanxiang; Wu, Ping; Mahal, Ahmed; Xue, Jinghua; Xu, Liangxiong; Wei, Xiaoyi Dinghupeptins A-D, Chymotrypsin Inhibitory Cyclodepsipeptides Produced by a Soil-Derived Streptomyces Journal of Natural Products 2018 81 (9) 1928-1936. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.7b01009 | PMID | 30222343 |
