| Properties | Image |
| MNX_ID | MNXM1121808 |
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| reference | chebi:159197 |
| formula | C12H21N3O6 |
| global charge | 0 |
| mol weight | 303.315 |
| InChIKey | LAPSXOAUPNOINL-YUMQZZPRSA-N |
| InChI | InChI=1S/C12H21N3O6/c1-6(2)3-7(13)11(19)14-5-9(16)15-8(12(20)21)4-10(17)18/h6-8H,3-5,13H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H21N3O6/c1-6(2)3-7(13)11(19)14-5-9(16)15-8(12(20)21)4-10(17)18/h6-8H,3-5,13H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:3][C@@H:7]([C:11](=[N:14][CH2:5][C:9](=[N:15][C@@H:8]([CH2:4][C:10](=[O:17])[OH:18])[C:12](=[O:20])[OH:21])[OH:16])[OH:19])[NH2:13] |
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