| Properties | Image |
|---|
| MNX_ID | MNXM1126682 |
 |
| reference | chebi:164097 |
| formula | C16H20N4O5 |
| global charge | 0 |
| mol weight | 348.359 |
| InChIKey | ONSARSFSJHTMFJ-STQMWFEESA-N |
| InChI | InChI=1S/C16H20N4O5/c17-6-14(22)19-12(15(23)20-13(8-21)16(24)25)5-9-7-18-11-4-2-1-3-10(9)11/h1-4,7,12-13,18,21H,5-6,8,17H2,(H,19,22)(H,20,23)(H,24,25)/t12-,13-/m0/s1 |
| SMILES | NCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H20N4O5/c17-6-14(22)19-12(15(23)20-13(8-21)16(24)25)5-9-7-18-11-4-2-1-3-10(9)11/h1-4,7,12-13,18,21H,5-6,8,17H2,(H,19,22)(H,20,23)(H,24,25)/t12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:11]2[C:10](=[CH:3]1)[C:9]([CH2:5][C@@H:12]([C:15](=[N:20][C@@H:13]([CH2:8][OH:21])[C:16](=[O:24])[OH:25])[OH:23])[N:19]=[C:14]([CH2:6][NH2:17])[OH:22])=[CH:7][NH:18]2 |
|