| Properties | Image | Occurences in reactions |
MNX_ID | MNXM161317 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C32H42N4O10S2 |
charge | 0 |
mass | 706.23424 |
reference | keggD:D03705 |
InChIKey | YSEPFTSCLHUBNH-HFKSPEPWSA-N |
InChI | InChI=1S/C16H20N2.2C8H11NO5S/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;2*1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h1-10,17-18H,11-14H2;2*5-6H,3H2,1-2H3,(H,11,12)/t;2*5-,6+/m.11/s1 |
SMILES | [H][C@@]12CC(=O)N1[C@@H](C(=O)O)C(C)(C)S2(=O)=O.[H][C@@]12CC(=O)N1[C@@H](C(=O)O)C(C)(C)S2(=O)=O.c1ccc(CNCCNCc2ccccc2)cc1 |
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