| Properties | Image |
|---|
| MNX_ID | MNXM1121106 |
 |
| reference | chebi:158493 |
| formula | C11H19N3O7 |
| global charge | 0 |
| mol weight | 305.287 |
| InChIKey | MSWSRLGNLKHDEI-ACZMJKKPSA-N |
| InChI | InChI=1S/C11H19N3O7/c1-5(12)9(18)14-7(4-15)10(19)13-6(11(20)21)2-3-8(16)17/h5-7,15H,2-4,12H2,1H3,(H,13,19)(H,14,18)(H,16,17)(H,20,21)/t5-,6-,7-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H19N3O7/c1-5(12)9(18)14-7(4-15)10(19)13-6(11(20)21)2-3-8(16)17/h5-7,15H,2-4,12H2,1H3,(H,13,19)(H,14,18)(H,16,17)(H,20,21)/t5-,6-,7-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:5]([C:9](=[N:14][C@@H:7]([CH2:4][OH:15])[C:10](=[N:13][C@@H:6]([CH2:2][CH2:3][C:8](=[O:16])[OH:17])[C:11](=[O:20])[OH:21])[OH:19])[OH:18])[NH2:12] |
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