| Properties | Image |
| MNX_ID | MNXM1122121 |
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| reference | chebi:159510 |
| formula | C12H23N3O6 |
| global charge | 0 |
| mol weight | 305.331 |
| InChIKey | BRTVHXHCUSXYRI-CIUDSAMLSA-N |
| InChI | InChI=1S/C12H23N3O6/c1-6(2)3-7(13)10(18)14-8(4-16)11(19)15-9(5-17)12(20)21/h6-9,16-17H,3-5,13H2,1-2H3,(H,14,18)(H,15,19)(H,20,21)/t7-,8-,9-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H23N3O6/c1-6(2)3-7(13)10(18)14-8(4-16)11(19)15-9(5-17)12(20)21/h6-9,16-17H,3-5,13H2,1-2H3,(H,14,18)(H,15,19)(H,20,21)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:3][C@@H:7]([C:10](=[N:14][C@@H:8]([CH2:4][OH:16])[C:11](=[N:15][C@@H:9]([CH2:5][OH:17])[C:12](=[O:20])[OH:21])[OH:19])[OH:18])[NH2:13] |
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