| 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) | [CH3:1][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C@H:35]([CH3:2])[CH2:27][C@H:36]([CH3:3])[CH2:28][C@H:37]([CH3:4])[CH2:29][C@H:38]([CH3:5])[CH2:30][C@H:39]([CH3:6])[CH2:31][C@H:40]([CH3:7])[CH2:32][C@H:41]([CH3:8])[CH2:33][C@H:42]([CH3:9])[C:46](=[O:51])[S:52][CH2:34][C@@H:44]([C:45](=[N:47][13CH3:11])[OH:50])[N:48]=[C:43]([13CH3:10])[OH:49] |
|