| Properties | Image |
| MNX_ID | MNXM1122934 |
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| reference | chebi:160331 |
| formula | C12H22N6O6 |
| global charge | 0 |
| mol weight | 346.344 |
| InChIKey | AXXCUABIFZPKPM-BQBZGAKWSA-N |
| InChI | InChI=1S/C12H22N6O6/c13-6(4-8(19)20)10(23)18-7(2-1-3-16-12(14)15)11(24)17-5-9(21)22/h6-7H,1-5,13H2,(H,17,24)(H,18,23)(H,19,20)(H,21,22)(H4,14,15,16)/t6-,7-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H22N6O6/c13-6(4-8(19)20)10(23)18-7(2-1-3-16-12(14)15)11(24)17-5-9(21)22/h6-7H,1-5,13H2,(H,17,24)(H,18,23)(H,19,20)(H,21,22)(H4,14,15,16)/t6-,7-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:7]([C:11](=[N:17][CH2:5][C:9](=[O:21])[OH:22])[OH:24])[N:18]=[C:10]([C@H:6]([CH2:4][C:8](=[O:19])[OH:20])[NH2:13])[OH:23])[CH2:3][NH:16][C:12](=[NH:14])[NH2:15] |
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