Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002427
PROPERTIES
| NPAID | NPA002427 |
|---|---|
| CLUSTER ID | 1443 |
| NODE ID | 1197 |
| NAME | Cyclothiazomycin |
| FORMULA | C59H64N18O14S7 |
| MOLECULAR WEIGHT (Da) | 1473.7420 |
| ACCURATE MASS (Da) | 1472.2894 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. NR 0516 |
| InChIKey | OGUUCNCVZHZWGA-SKEOMMRSSA-N |
| InChI | InChI=1S/C59H64N18O14S7/c1-7-27-47(85)76-59(6)58(91)75-42(25(5)78)49(87)61-15-40(80)64-28(8-2)56(88)77-13-9-10-38(77)48(86)62-23(3)41-26(43(81)67-30(14-39(60)79)52-69-32(17-93-52)45(83)66-27)11-12-29(65-41)51-73-35(20-96-51)53-70-31(16-94-53)44(82)63-24(4)50-72-34(19-92-50)55-74-36(21-97-55)54-71-33(18-95-54)46(84)68-37(22-98-59)57(89)90/h7-8,11-12,19-21,23,25,30-33,37-38,42,78H,4,9-10,13-18,22H2,1-3,5-6H3,(H2,60,79)(H,61,87)(H,62,86)(H,63,82)(H,64,80)(H,66,83)(H,67,81)(H,68,84)(H,75,91)(H,76,85)(H,89,90)/b27-7-,28-8-/t23-,25-,30+,31+,32+,33+,37+,38+,42+,59+/m1/s1 |
| SMILES | C/C=C\1/C(=O)N[C@@]2(C(=O)N[C@H](C(=O)NCC(=O)N/C(=C\C)/C(=O)N3CCC[C@H]3C(=O)N[C@@H](C4=C(C=CC(=N4)C5=NC(=CS5)C6=N[C@@H](CS6)C(=O)NC(=C)C7=NC(=CS7)C8=NC(=CS8)C9=N[C@@H](CS9)C(=O)N[C@@H](CS2)C(=O)O)C(=O)N[C@H](C2=N[C@@H](CS2)C(=O)N1)CC(=O)N)C)[C@@H](C)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Aoki, Masahiro; Ohtsuka, Tatsuo; Itezono, Yoshiko; Yokose, Kazuteru; Furihata, Kazuo; Seto, Haruo STRUCTURE OF CYCLOTHIAZOMYCIN, A UNIQUE POLYTHIAZOLE-CONTAINING PEPTIDE WITH RENIN INHIBITORY ACTIVITY. PART 1. CHEMISTRY AND PARTIAL STRUCTURES OF CYCLOTHIAZOMYCIN Tetrahedron Letters 1991 32 (2) 217-220. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4039(91)80859-5 | PMID | - |
