| Properties | Image |
| MNX_ID | MNXM1123282 |
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| reference | chebi:160683 |
| formula | C12H21N3O6 |
| global charge | 0 |
| mol weight | 303.315 |
| InChIKey | AYFVRYXNDHBECD-YUMQZZPRSA-N |
| InChI | InChI=1S/C12H21N3O6/c1-6(2)3-8(12(21)14-5-10(18)19)15-11(20)7(13)4-9(16)17/h6-8H,3-5,13H2,1-2H3,(H,14,21)(H,15,20)(H,16,17)(H,18,19)/t7-,8-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H21N3O6/c1-6(2)3-8(12(21)14-5-10(18)19)15-11(20)7(13)4-9(16)17/h6-8H,3-5,13H2,1-2H3,(H,14,21)(H,15,20)(H,16,17)(H,18,19)/t7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:3][C@@H:8]([C:12](=[N:14][CH2:5][C:10](=[O:18])[OH:19])[OH:21])[N:15]=[C:11]([C@H:7]([CH2:4][C:9](=[O:16])[OH:17])[NH2:13])[OH:20] |
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