APD
Summary
| Name: | 3-METHYLPHENYLALANINE |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-methyl-L-phenylalanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(3-methylphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc1cccc(c1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(C[C@H](N)C(O)=O)c1 |
| SMILES | CACTVS | 3.341 | Cc1cccc(C[CH](N)C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | JZRBSTONIYRNRI-VIFPVBQESA-N |
