| Properties | Image |
|---|
| MNX_ID | MNXM1126195 |
 |
| reference | chebi:163609 |
| formula | C12H23N3O6 |
| global charge | 0 |
| mol weight | 305.331 |
| InChIKey | SIEBDTCABMZCLF-XGEHTFHBSA-N |
| InChI | InChI=1S/C12H23N3O6/c1-5(2)8(14-10(18)7(13)4-16)11(19)15-9(6(3)17)12(20)21/h5-9,16-17H,4,13H2,1-3H3,(H,14,18)(H,15,19)(H,20,21)/t6-,7+,8+,9+/m1/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C12H23N3O6/c1-5(2)8(14-10(18)7(13)4-16)11(19)15-9(6(3)17)12(20)21/h5-9,16-17H,4,13H2,1-3H3,(H,14,18)(H,15,19)(H,20,21)/t6-,7+,8+,9+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:5]([CH3:2])[C@@H:8]([C:11](=[N:15][C@@H:9]([C@@H:6]([CH3:3])[OH:17])[C:12](=[O:20])[OH:21])[OH:19])[N:14]=[C:10]([C@H:7]([CH2:4][OH:16])[NH2:13])[OH:18] |
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