| Properties | Image |
|---|
| MNX_ID | MNXM1125513 |
 |
| reference | chebi:162925 |
| formula | C13H23N3O6 |
| global charge | 0 |
| mol weight | 317.342 |
| InChIKey | LRPXYSGPOBVBEH-IUCAKERBSA-N |
| InChI | InChI=1S/C13H23N3O6/c1-7(2)5-9(13(21)22)16-10(17)6-15-12(20)8(14)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](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H23N3O6/c1-7(2)5-9(13(21)22)16-10(17)6-15-12(20)8(14)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:9]([C:13](=[O:21])[OH:22])[N:16]=[C:10]([CH2:6][N:15]=[C:12]([C@H:8]([CH2:3][CH2:4][C:11](=[O:18])[OH:19])[NH2:14])[OH:20])[OH:17] |
|