| Properties | Image |
| MNX_ID | MNXM1126266 |
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| reference | chebi:163680 |
| formula | C12H21N3O6 |
| global charge | 0 |
| mol weight | 303.315 |
| InChIKey | JSNNHGHYGYMVCK-XVKPBYJWSA-N |
| InChI | InChI=1S/C12H21N3O6/c1-6(2)10(12(20)21)15-11(19)7(3-4-9(17)18)14-8(16)5-13/h6-7,10H,3-5,13H2,1-2H3,(H,14,16)(H,15,19)(H,17,18)(H,20,21)/t7-,10-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H21N3O6/c1-6(2)10(12(20)21)15-11(19)7(3-4-9(17)18)14-8(16)5-13/h6-7,10H,3-5,13H2,1-2H3,(H,14,16)(H,15,19)(H,17,18)(H,20,21)/t7-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[C@@H:10]([C:12](=[O:20])[OH:21])[N:15]=[C:11]([C@H:7]([CH2:3][CH2:4][C:9](=[O:17])[OH:18])[N:14]=[C:8]([CH2:5][NH2:13])[OH:16])[OH:19] |
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