Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022774
PROPERTIES
| NPAID | NPA022774 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Dinghupeptin B |
| FORMULA | C49H67N9O14 |
| MOLECULAR WEIGHT (Da) | 1006.1240 |
| ACCURATE MASS (Da) | 1005.4807 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. SC0581 |
| InChIKey | NFCQEJKKOQOJJM-TTYFGDPKSA-N |
| InChI | InChI=1S/C49H67N9O14/c1-7-27(2)42(63)53-33(17-20-38(50)61)44(65)56-41-29(4)72-49(70)28(3)52-45(66)36(25-31-13-15-32(60)16-14-31)57(5)48(69)37(26-30-11-9-8-10-12-30)58-40(71-6)22-19-35(47(58)68)55-43(64)34(54-46(41)67)18-21-39(62)51-23-24-59/h7-16,28-29,33-37,40-41,59-60H,17-26H2,1-6H3,(H2,50,61)(H,51,62)(H,52,66)(H,53,63)(H,54,67)(H,55,64)(H,56,65)/b27-7+/t28-,29+,33-,34-,35-,36-,37-,40+,41-/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)OC)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 |
