| Properties | Image |
|---|
| MNX_ID | MNXM1121410 |
 |
| reference | chebi:158798 |
| formula | C13H25N3O6 |
| global charge | 0 |
| mol weight | 319.358 |
| InChIKey | WCNWGAUZWWSYDG-SVSWQMSJSA-N |
| InChI | InChI=1S/C13H25N3O6/c1-4-6(2)9(14)11(19)16-10(7(3)18)12(20)15-8(5-17)13(21)22/h6-10,17-18H,4-5,14H2,1-3H3,(H,15,20)(H,16,19)(H,21,22)/t6-,7+,8-,9-,10-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N3O6/c1-4-6(2)9(14)11(19)16-10(7(3)18)12(20)15-8(5-17)13(21)22/h6-10,17-18H,4-5,14H2,1-3H3,(H,15,20)(H,16,19)(H,21,22)/t6-,7+,8-,9-,10-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C@H:6]([CH3:2])[C@@H:9]([C:11](=[N:16][C@@H:10]([C@@H:7]([CH3:3])[OH:18])[C:12](=[N:15][C@@H:8]([CH2:5][OH:17])[C:13](=[O:21])[OH:22])[OH:20])[OH:19])[NH2:14] |
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