| Properties | Image | Occurences in reactions |
MNX_ID | MNXM528910 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C23H28N4O3S |
charge | 0 |
mass | 440.18821 |
reference | chebi:103290 |
InChIKey | LDJBNXGTZHCRNA-PZBISTMVSA-N |
InChI | InChI=1S/C23H28N4O3S/c1-2-3-15-6-7-18-20-16(11-26(18)23(15)30)17(13-28)21(22(29)25-10-14-4-5-14)27(20)12-19-24-8-9-31-19/h2-3,6-9,14,16-17,20-21,28H,4-5,10-13H2,1H3,(H,25,29)/t16-,17-,20+,21-/m0/s1 |
SMILES | CC=Cc1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)N(Cc3nccs3)[C@@H]21 |
|