| Properties | Image |
| MNX_ID | MNXM145114 |
 |
| reference | chebi:74871 |
| formula | C17H23N3O3 |
| global charge | 0 |
| mol weight | 317.389 |
| InChIKey | LYMVXFSTACVOLP-ZFWWWQNUSA-N |
| InChI | InChI=1S/C17H23N3O3/c1-10(2)7-15(17(22)23)20-16(21)13(18)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)/t13-,15-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H23N3O3/c1-10(2)7-15(17(22)23)20-16(21)13(18)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)/t13-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:7][C@@H:15]([C:17](=[O:22])[OH:23])[N:20]=[C:16]([C@H:13]([CH2:8][C:11]1=[CH:9][NH:19][C:14]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:12]12)[NH2:18])[OH:21] |
|