| Name |
Iturin A-3 |
| Formula |
C49H76N12O14 |
| Mw |
1056.56039523 |
| CAS RN |
64642-38-2 |
| C_ID |
C00037351
, 
|
| InChIKey |
UZIRWCBDDZAYTQ-KMEPZBAYNA-N |
| InChICode |
InChI=1S/C49H76N12O14/c1-3-27(2)11-8-6-4-5-7-9-12-29-22-42(68)55-33(23-39(51)65)44(70)57-32(21-28-14-16-30(63)17-15-28)43(69)58-34(24-40(52)66)45(71)56-31(18-19-38(50)64)49(75)61-20-10-13-37(61)48(74)59-35(25-41(53)67)46(72)60-36(26-62)47(73)54-29/h14-17,27,29,31-37,62-63H,3-13,18-26H2,1-2H3,(H2,50,64)(H2,51,65)(H2,52,66)(H2,53,67)(H,54,73)(H,55,68)(H,56,71)(H,57,70)(H,58,69)(H,59,74)(H,60,72)/t27-,29-,31+,32-,33+,34-,35-,36+,37+/m1/s1 |
| SMILES |
CCC(C)CCCCCCCC[C@@H]1CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Pro L-Lys |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Bacillaceae | Bacillus amyloliquefaciens strain RC-2 | Ref. |
|
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