| Properties | Image |
|---|
| MNX_ID | MNXM1126974 |
 |
| reference | chebi:164391 |
| formula | C13H25N3O6 |
| global charge | 0 |
| mol weight | 319.358 |
| InChIKey | KZTLZZQTJMCGIP-ZJDVBMNYSA-N |
| InChI | InChI=1S/C13H25N3O6/c1-5(2)9(15-11(19)8(14)6(3)17)12(20)16-10(7(4)18)13(21)22/h5-10,17-18H,14H2,1-4H3,(H,15,19)(H,16,20)(H,21,22)/t6-,7-,8+,9+,10+/m1/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N3O6/c1-5(2)9(15-11(19)8(14)6(3)17)12(20)16-10(7(4)18)13(21)22/h5-10,17-18H,14H2,1-4H3,(H,15,19)(H,16,20)(H,21,22)/t6-,7-,8+,9+,10+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:5]([CH3:2])[C@@H:9]([C:12](=[N:16][C@@H:10]([C@@H:7]([CH3:4])[OH:18])[C:13](=[O:21])[OH:22])[OH:20])[N:15]=[C:11]([C@H:8]([C@@H:6]([CH3:3])[OH:17])[NH2:14])[OH:19] |
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