| Properties | Image | Occurences in reactions |
MNX_ID | MNXM528372 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C29H31N5O3 |
charge | 0 |
mass | 497.24269 |
reference | chebi:100497 |
InChIKey | DPJGOJUVSBIVRD-ZDEZRRDYSA-N |
InChI | InChI=1S/C29H31N5O3/c35-18-23-25-17-34-24(11-10-22(29(34)37)20-7-1-2-8-20)27(33(25)16-19-6-5-12-30-14-19)26(23)28(36)32-15-21-9-3-4-13-31-21/h3-7,9-14,23,25-27,35H,1-2,8,15-18H2,(H,32,36)/t23-,25-,26+,27+/m1/s1 |
SMILES | O=C(NCc1ccccn1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2Cc1cccnc1 |
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