| Properties | Image |
| MNX_ID | MNXM1123243 |
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| reference | chebi:160643 |
| formula | C12H21N3O6 |
| global charge | 0 |
| mol weight | 303.315 |
| InChIKey | SEMWSADZTMJELF-BYULHYEWSA-N |
| InChI | InChI=1S/C12H21N3O6/c1-3-6(2)10(12(21)14-5-9(18)19)15-11(20)7(13)4-8(16)17/h6-7,10H,3-5,13H2,1-2H3,(H,14,21)(H,15,20)(H,16,17)(H,18,19)/t6-,7-,10-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H21N3O6/c1-3-6(2)10(12(21)14-5-9(18)19)15-11(20)7(13)4-8(16)17/h6-7,10H,3-5,13H2,1-2H3,(H,14,21)(H,15,20)(H,16,17)(H,18,19)/t6-,7-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:6]([CH3:2])[C@@H:10]([C:12](=[N:14][CH2:5][C:9](=[O:18])[OH:19])[OH:21])[N:15]=[C:11]([C@H:7]([CH2:4][C:8](=[O:16])[OH:17])[NH2:13])[OH:20] |
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