| Properties | Image | with InChI numbering | Occurences in reactions |
MNX_ID | MNXM1368429 |
 |
 |
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
0 |
|
formula | C22H26N2O4 |
charge | 0 |
mass | 382.46 |
reference | chebi:6511 |
InChIKey | YKTXUUJZENEUGL-MKHRZCKRSA-N |
InChI | InChI=1S/C22H26N2O4/c1-4-21-10-13(19(25)27-3)17-22(14-6-5-12(26-2)9-15(14)23-17)7-8-24(20(21)22)11-16-18(21)28-16/h5-6,9,16,18,20,23H,4,7-8,10-11H2,1-3H3/t16?,18?,20-,21+,22-/m0/s1 |
SMILES | [CH3:1][CH2:4][C@@:21]12[CH2:10][C:13]([C:19](=[O:25])[O:27][CH3:3])=[C:17]3[C@:22]4([CH2:7][CH2:8][N:24]([CH2:11][CH:16]5[CH:18]1[O:28]5)[C@@H:20]24)[c:14]1[cH:6][cH:5][c:12]([O:26][CH3:2])[cH:9][c:15]1[NH:23]3 |
|