| Properties | Image |
| MNX_ID | MNXM1125755 |
 |
| reference | chebi:163168 |
| formula | C12H19N5O6 |
| global charge | 0 |
| mol weight | 329.313 |
| InChIKey | CAOYHZOWXFFAIR-CIUDSAMLSA-N |
| InChI | InChI=1S/C12H19N5O6/c13-7(3-18)10(20)16-8(1-6-2-14-5-15-6)11(21)17-9(4-19)12(22)23/h2,5,7-9,18-19H,1,3-4,13H2,(H,14,15)(H,16,20)(H,17,21)(H,22,23)/t7-,8-,9-/m0/s1 |
| SMILES | N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H19N5O6/c13-7(3-18)10(20)16-8(1-6-2-14-5-15-6)11(21)17-9(4-19)12(22)23/h2,5,7-9,18-19H,1,3-4,13H2,(H,14,15)(H,16,20)(H,17,21)(H,22,23)/t7-,8-,9-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([C:6]1=[CH:2][N:14]=[CH:5][NH:15]1)[C@@H:8]([C:11](=[N:17][C@@H:9]([CH2:4][OH:19])[C:12](=[O:22])[OH:23])[OH:21])[N:16]=[C:10]([C@H:7]([CH2:3][OH:18])[NH2:13])[OH:20] |
|