| Properties | Image |
|---|
| MNX_ID | MNXM1121813 |
 |
| reference | chebi:159202 |
| formula | C13H23N3O6 |
| global charge | 0 |
| mol weight | 317.342 |
| InChIKey | KGCLIYGPQXUNLO-IUCAKERBSA-N |
| InChI | InChI=1S/C13H23N3O6/c1-7(2)5-8(14)12(20)15-6-10(17)16-9(13(21)22)3-4-11(18)19/h7-9H,3-6,14H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t8-,9-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H23N3O6/c1-7(2)5-8(14)12(20)15-6-10(17)16-9(13(21)22)3-4-11(18)19/h7-9H,3-6,14H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t8-,9-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[CH2:5][C@@H:8]([C:12](=[N:15][CH2:6][C:10](=[N:16][C@@H:9]([CH2:3][CH2:4][C:11](=[O:18])[OH:19])[C:13](=[O:21])[OH:22])[OH:17])[OH:20])[NH2:14] |
|