| Name |
Symplocamide A |
| Formula |
C46H71BrN10O13 |
| Mw |
1050.43854533 |
| CAS RN |
1007391-44-7 |
| C_ID |
C00040426
, 
|
| InChIKey |
XFQCUAOQRAZAJB-QRLINLMVNA-N |
| InChICode |
InChI=1S/C46H71BrN10O13/c1-9-12-34(59)51-29(15-18-33(48)58)40(62)55-37-25(6)70-45(67)36(23(3)4)54-41(63)31(22-26-14-17-32(69-8)27(47)21-26)56(7)44(66)38(24(5)10-2)57-35(60)19-16-30(43(57)65)53-39(61)28(52-42(37)64)13-11-20-50-46(49)68/h14,17,21,23-25,28-31,35-38,60H,9-13,15-16,18-20,22H2,1-8H3,(H2,48,58)(H,51,59)(H,52,64)(H,53,61)(H,54,63)(H,55,62)(H3,49,50,68)/t24-,25+,28-,29-,30-,31-,35+,36-,37+,38+/m0/s1 |
| SMILES |
[C@H]1(CC[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]([C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](N1C2=O)[C@H](CC)C)C)Cc1ccc(c(c1)Br)OC)C(C)C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CCC)CCCNC(=O)N)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Lys |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Symploca sp. | Ref. |
|
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