| Properties | Image |
|---|
| MNX_ID | MNXM1123169 |
 |
| reference | chebi:160569 |
| formula | C12H21N3O6 |
| global charge | 0 |
| mol weight | 303.315 |
| InChIKey | PSLSTUMPZILTAH-BYULHYEWSA-N |
| InChI | InChI=1S/C12H21N3O6/c1-3-6(2)10(12(20)21)15-8(16)5-14-11(19)7(13)4-9(17)18/h6-7,10H,3-5,13H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-,10-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H21N3O6/c1-3-6(2)10(12(20)21)15-8(16)5-14-11(19)7(13)4-9(17)18/h6-7,10H,3-5,13H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/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](=[O:20])[OH:21])[N:15]=[C:8]([CH2:5][N:14]=[C:11]([C@H:7]([CH2:4][C:9](=[O:17])[OH:18])[NH2:13])[OH:19])[OH:16] |
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