| Properties | Image |
|---|
| MNX_ID | MNXM1122152 |
 |
| reference | chebi:159542 |
| formula | C14H27N3O6 |
| global charge | 0 |
| mol weight | 333.385 |
| InChIKey | GZRABTMNWJXFMH-UVOCVTCTSA-N |
| InChI | InChI=1S/C14H27N3O6/c1-6(2)5-9(15)12(20)16-10(7(3)18)13(21)17-11(8(4)19)14(22)23/h6-11,18-19H,5,15H2,1-4H3,(H,16,20)(H,17,21)(H,22,23)/t7-,8-,9+,10+,11+/m1/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C14H27N3O6/c1-6(2)5-9(15)12(20)16-10(7(3)18)13(21)17-11(8(4)19)14(22)23/h6-11,18-19H,5,15H2,1-4H3,(H,16,20)(H,17,21)(H,22,23)/t7-,8-,9+,10+,11+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:5][C@@H:9]([C:12](=[N:16][C@@H:10]([C@@H:7]([CH3:3])[OH:18])[C:13](=[N:17][C@@H:11]([C@@H:8]([CH3:4])[OH:19])[C:14](=[O:22])[OH:23])[OH:21])[OH:20])[NH2:15] |
|