| Properties | Image |
| MNX_ID | MNXM1100777 |
 |
| reference | chebi:192686 |
| formula | C17H23N3O2 |
| global charge | 0 |
| mol weight | 301.39 |
| InChIKey | LUZOFMGZMUZSSK-LRDDRELGSA-N |
| InChI | InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1 |
| SMILES | CC(C)[C@H]1C(=O)N[C@H](CO)CC2=CNC3=CC=CC(=C23)N1C |
MNX internals
| InChI (mnx) | InChI=1/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@H:16]1[C:17]([OH:22])=[N:19][C@H:12]([CH2:9][OH:21])[CH2:7][C:11]2=[CH:8][NH:18][C:13]3=[C:15]2[C:14](=[CH:6][CH:4]=[CH:5]3)[N:20]1[CH3:3] |
|