Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015937
PROPERTIES
| NPAID | NPA015937 |
|---|---|
| CLUSTER ID | 5506 |
| NODE ID | 2039 |
| NAME | Quinaldopeptin |
| FORMULA | C62H78N14O14 |
| MOLECULAR WEIGHT (Da) | 1243.3900 |
| ACCURATE MASS (Da) | 1242.5822 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptoverticillium |
| ORIGIN SPECIES | album strain Q132-6 |
| InChIKey | KIPSHYPQCJYONU-IEWDKCLUSA-N |
| InChI | InChI=1S/C62H78N14O14/c1-35-51(69-59(87)53-45(77)29-37-17-5-7-19-39(37)67-53)61(89)75-27-15-11-21-41(75)55(83)63-31-47(79)72(4)34-50(82)74-26-14-10-24-44(74)58(86)66-36(2)52(70-60(88)54-46(78)30-38-18-6-8-20-40(38)68-54)62(90)76-28-16-12-22-42(76)56(84)64-32-48(80)71(3)33-49(81)73-25-13-9-23-43(73)57(85)65-35/h5-8,17-20,29-30,35-36,41-44,51-52,77-78H,9-16,21-28,31-34H2,1-4H3,(H,63,83)(H,64,84)(H,65,85)(H,66,86)(H,69,87)(H,70,88)/t35-,36-,41+,42+,43+,44+,51-,52-/m1/s1 |
| SMILES | C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C(=O)NCC(=O)N(CC(=O)N3CCCC[C@H]3C(=O)N[C@@H]([C@H](C(=O)N4CCCC[C@H]4C(=O)NCC(=O)N(CC(=O)N5CCCC[C@H]5C(=O)N1)C)NC(=O)C6=NC7=CC=CC=C7C=C6O)C)C)NC(=O)C8=NC9=CC=CC=C9C=C8O |
ORIGINAL ISOLATION REFERENCE
| CITATION | TODA, SOICHIRO; SUGAWARA, KOKO; NLSHIYAMA, YUJI; OHBAYASHI, MASARU; OHKUSA, NORIYUKI; YAMAMOTO, HARUAKI; KONISHI, MASATAKA; OKI, TOSHIKAZU Quinaldopeptin, a novel antibiotic of the quinomycin family Journal of Antibiotics 1990 43 (7) 796-808. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.43.796 | PMID | 2387774 |
SYNTHESES
| CITATION 1 | Ichikawa S; Okamura T; Matsuda A Total synthesis of quinaldopeptin and its analogues. Journal of Organic Chemistry 2013 78 (24) 12662-70. DOI: 10.1021/jo402267r PMID: 24236405 | ||
|---|---|---|---|
