| Name |
Thiocillin II |
| Formula |
C49H51N13O10S6 |
| Mw |
1173.22060933 |
| CAS RN |
59979-02-1 |
| C_ID |
C00018083
, 
|
| InChIKey |
UJNDUGQLLYFVMS-HGELYGIENA-N |
| InChICode |
InChI=1S/C49H51N13O10S6/c1-9-24(37(65)50-13-20(3)63)52-38(66)28-16-75-46(57-28)32-19-76-45(59-32)26-12-11-23-35(51-26)27-14-77-47(54-27)34(22(5)72-8)61-40(68)30-18-78-48(58-30)36(49(6,7)71)62-41(69)31-17-74-44(56-31)25(10-2)53-42(70)33(21(4)64)60-39(67)29-15-73-43(23)55-29/h9-12,14-22,33-34,36,63-64,71H,13H2,1-8H3,(H,50,65)(H,52,66)(H,53,70)(H,60,67)(H,61,68)(H,62,69)/b24-9+,25-10+/t20-,21+,22-,33-,34-,36-/m0/s1 |
| SMILES |
O=C1c2nc(/C(=C\C)/NC(=O)[C@@H](NC(=O)c3csc(n3)c3c(c4nc([C@@H](NC(=O)c5nc([C@H](N1)C(C)(C)O)sc5)[C@@H](OC)C)sc4)nc(cc3)c1nc(cs1)c1scc(n1)C(=O)N/C(=C/C)/C(=O)NC[C@@H](O)C)[C@H](O)C)sc2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Bacillaceae | Bacillus cereus G-15 | Ref. |
|
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