| Properties | Image |
|---|
| MNX_ID | MNXM1125604 |
 |
| reference | chebi:163016 |
| formula | C14H25N3O6 |
| global charge | 0 |
| mol weight | 331.369 |
| InChIKey | HVYWQYLBVXMXSV-GUBZILKMSA-N |
| InChI | InChI=1S/C14H25N3O6/c1-7(2)6-10(13(21)16-8(3)14(22)23)17-12(20)9(15)4-5-11(18)19/h7-10H,4-6,15H2,1-3H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t8-,9-,10-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H25N3O6/c1-7(2)6-10(13(21)16-8(3)14(22)23)17-12(20)9(15)4-5-11(18)19/h7-10H,4-6,15H2,1-3H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t8-,9-,10-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[CH2:6][C@@H:10]([C:13](=[N:16][C@@H:8]([CH3:3])[C:14](=[O:22])[OH:23])[OH:21])[N:17]=[C:12]([C@H:9]([CH2:4][CH2:5][C:11](=[O:18])[OH:19])[NH2:15])[OH:20] |
|