| Properties | Image |
| MNX_ID | MNXM1121030 |
 |
| reference | chebi:158417 |
| formula | C14H19N3O4 |
| global charge | 0 |
| mol weight | 293.323 |
| InChIKey | DHBKYZYFEXXUAK-ONGXEEELSA-N |
| InChI | InChI=1S/C14H19N3O4/c1-9(15)13(20)17-11(14(21)16-8-12(18)19)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,21)(H,17,20)(H,18,19)/t9-,11-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H19N3O4/c1-9(15)13(20)17-11(14(21)16-8-12(18)19)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,21)(H,17,20)(H,18,19)/t9-,11-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:9]([C:13](=[N:17][C@@H:11]([CH2:7][C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:14](=[N:16][CH2:8][C:12](=[O:18])[OH:19])[OH:21])[OH:20])[NH2:15] |
|