| Properties | Image | Occurences in reactions |
MNX_ID | MNXM528064 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C21H24N4O4S |
charge | 0 |
mass | 428.15183 |
reference | chebi:98751 |
InChIKey | WZQJIBXYFKEECF-OXXUSNJHSA-N |
InChI | InChI=1S/C21H24N4O4S/c26-11-13-15-10-24-14(6-3-7-16(24)27)18(25(15)20(29)12-4-1-2-5-12)17(13)19(28)23-21-22-8-9-30-21/h3,6-9,12-13,15,17-18,26H,1-2,4-5,10-11H2,(H,22,23,28)/t13-,15-,17+,18+/m0/s1 |
SMILES | O=C(Nc1nccs1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCCC1 |
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