| Properties | Image |
|---|
| MNX_ID | MNXM1126423 |
 |
| reference | chebi:163837 |
| formula | C12H22N4O7 |
| global charge | 0 |
| mol weight | 334.329 |
| InChIKey | LIXBDERDAGNVAV-XKBZYTNZSA-N |
| InChI | InChI=1S/C12H22N4O7/c1-5(18)9(14)11(21)15-6(2-3-8(13)19)10(20)16-7(4-17)12(22)23/h5-7,9,17-18H,2-4,14H2,1H3,(H2,13,19)(H,15,21)(H,16,20)(H,22,23)/t5-,6+,7+,9+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H22N4O7/c1-5(18)9(14)11(21)15-6(2-3-8(13)19)10(20)16-7(4-17)12(22)23/h5-7,9,17-18H,2-4,14H2,1H3,(H2,13,19)(H,15,21)(H,16,20)(H,22,23)/t5-,6+,7+,9+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:5]([C@@H:9]([C:11](=[N:15][C@@H:6]([CH2:2][CH2:3][C:8](=[NH:13])[OH:19])[C:10](=[N:16][C@@H:7]([CH2:4][OH:17])[C:12](=[O:22])[OH:23])[OH:20])[OH:21])[NH2:14])[OH:18] |
|