| Properties | Image | Occurences in reactions |
MNX_ID | MNXM108012 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C17H31ClN2O5S |
charge | 0 |
mass | 410.16422 |
reference | keggD:D08391 |
InChIKey | HBJOXQRURQPDEX-MHXMMLMNSA-N |
InChI | InChI=1S/C17H31ClN2O5S/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8-,9+,10-,11+,12-,13+,14+,15+,17+/m0/s1 |
SMILES | CC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1 |
|