| Properties | Image |
|---|
| MNX_ID | MNXM743706 |
 |
| reference | keggC:C22125 |
| formula | C44H84N2O3S*2 |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]NC(=O)[C@H](CSC(=O)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)NC([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C46H90N2O3S/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-35(2)27-36(3)28-37(4)29-38(5)30-39(6)31-40(7)32-41(8)33-42(9)46(51)52-34-44(45(50)47-11)48-43(10)49/h35-42,44H,12-34H2,1-11H3,(H,47,50)(H,48,49)/t35-,36-,37-,38-,39-,40-,41-,42-,44-/m0/s1/i10+1,11+1 |
 |
| SMILES (mnx) | [C@@H:1]([C:2]([CH2:5][CH3:9])=[CH2:6])([CH2:3][C:7](=[13CH2:10])[13CH3:11])[CH2:4][CH2:8][C:12]([C@H:13]([CH2:14][C@@H:15]([CH2:16][C@H:17]([CH2:18][C@@H:19]([CH2:20][C@H:21]([CH2:22][C@@H:23]([CH2:24][C@H:25]([CH2:26][C@@H:27]([CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:45][CH2:46][NH:47][NH:48][O:49][O:50][O:51][SH:52])[CH3:44])[CH3:35])[CH3:34])[CH3:33])[CH3:32])[CH3:31])[CH3:30])[CH3:29])=[CH2:28] |
|