| Properties | Image | Occurences in reactions |
MNX_ID | MNXM172198 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C31H33N5O3S |
charge | 0 |
mass | 555.23041 |
reference | chebi:102263 |
InChIKey | VKWMOKPZZRMWDJ-PDBZVODSSA-N |
InChI | InChI=1S/C31H33N5O3S/c1-31(2,3)40(39)36-20-25-18-26(30(38)34-19-21-7-12-32-13-8-21)35-29(28(25)27(36)11-16-37)24-6-4-5-23(17-24)22-9-14-33-15-10-22/h4-10,12-15,17-18,27,37H,11,16,19-20H2,1-3H3,(H,34,38)/t27-,40-/m0/s1 |
SMILES | CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccncc3)nc(-c3cccc(-c4ccncc4)c3)c2[C@@H]1CCO |
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