| Properties | Image |
| MNX_ID | MNXM1122405 |
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| reference | chebi:159798 |
| formula | C12H22N4O6 |
| global charge | 0 |
| mol weight | 318.33 |
| InChIKey | AAORVPFVUIHEAB-YUMQZZPRSA-N |
| InChI | InChI=1S/C12H22N4O6/c13-4-2-1-3-7(14)11(21)16-8(5-9(17)18)12(22)15-6-10(19)20/h7-8H,1-6,13-14H2,(H,15,22)(H,16,21)(H,17,18)(H,19,20)/t7-,8-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H22N4O6/c13-4-2-1-3-7(14)11(21)16-8(5-9(17)18)12(22)15-6-10(19)20/h7-8H,1-6,13-14H2,(H,15,22)(H,16,21)(H,17,18)(H,19,20)/t7-,8-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:4][NH2:13])[CH2:3][C@@H:7]([C:11](=[N:16][C@@H:8]([CH2:5][C:9](=[O:17])[OH:18])[C:12](=[N:15][CH2:6][C:10](=[O:19])[OH:20])[OH:22])[OH:21])[NH2:14] |
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