RDM
Summary
| Name: | (2R)-2-(acetylamino)-4-phenylbutanoic acid |
| Formula: | C12 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 221.252 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-(acetylamino)-4-phenylbutanoic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-acetamido-4-phenyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1ccccc1)CC(C(=O)O)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | CNQZAOFOKXXEOB-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H](CCc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](CCc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N[C@H](CCc1ccccc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NC(CCc1ccccc1)C(=O)O |
