| Properties | Image |
| MNX_ID | MNXM1122552 |
 |
| reference | chebi:159946 |
| formula | C12H22N4O6 |
| global charge | 0 |
| mol weight | 318.33 |
| InChIKey | GPJGFSFYBJGYRX-YUMQZZPRSA-N |
| InChI | InChI=1S/C12H22N4O6/c13-4-2-1-3-7(14)11(20)15-6-9(17)16-8(12(21)22)5-10(18)19/h7-8H,1-6,13-14H2,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H22N4O6/c13-4-2-1-3-7(14)11(20)15-6-9(17)16-8(12(21)22)5-10(18)19/h7-8H,1-6,13-14H2,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:4][NH2:13])[CH2:3][C@@H:7]([C:11](=[N:15][CH2:6][C:9](=[N:16][C@@H:8]([CH2:5][C:10](=[O:18])[OH:19])[C:12](=[O:21])[OH:22])[OH:17])[OH:20])[NH2:14] |
|