9IJ
Summary
| Name: | 2-cyano-L-phenylalanine |
| Formula: | C10 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 190.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-cyano-L-phenylalanine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(2-cyanophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(Cc1ccccc1C#N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | OCDHPLVCNWBKJN-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccccc1C#N)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccccc1C#N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C[C@@H](C(=O)O)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CC(C(=O)O)N)C#N |
