LQO
Summary
| Name: | lacosamide |
| Synonyms: | N~2~-acetyl-N-benzyl-O-methyl-D-serinamide |
| Formula: | C13 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 250.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-acetyl-N-benzyl-O-methyl-D-serinamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-acetamido-3-methoxy-~{N}-(phenylmethyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)NC(COC)C(=O)NCc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | VPPJLAIAVCUEMN-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |
| SMILES | CACTVS | 3.385 | COC[CH](NC(C)=O)C(=O)NCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@H](COC)C(=O)NCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC(COC)C(=O)NCc1ccccc1 |
