| Properties | Image |
|---|
| MNX_ID | MNXM1126623 |
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| reference | chebi:164038 |
| formula | C13H25N3O6 |
| global charge | 0 |
| mol weight | 319.358 |
| InChIKey | YOOAQCZYZHGUAZ-KATARQTJSA-N |
| InChI | InChI=1S/C13H25N3O6/c1-6(2)4-8(15-12(20)10(14)7(3)18)11(19)16-9(5-17)13(21)22/h6-10,17-18H,4-5,14H2,1-3H3,(H,15,20)(H,16,19)(H,21,22)/t7-,8+,9+,10+/m1/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N3O6/c1-6(2)4-8(15-12(20)10(14)7(3)18)11(19)16-9(5-17)13(21)22/h6-10,17-18H,4-5,14H2,1-3H3,(H,15,20)(H,16,19)(H,21,22)/t7-,8+,9+,10+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:4][C@@H:8]([C:11](=[N:16][C@@H:9]([CH2:5][OH:17])[C:13](=[O:21])[OH:22])[OH:19])[N:15]=[C:12]([C@H:10]([C@@H:7]([CH3:3])[OH:18])[NH2:14])[OH:20] |
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