3CF
Summary
| Name: | 3-cyano-L-phenylalanine |
| Formula: | C10 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 190.199 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-cyano-L-phenylalanine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-3-(3-cyanophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1cccc(C#N)c1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1cccc(c1)C#N)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1cccc(c1)C#N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)C#N)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | ZHUOMTMPTNZOJE-VIFPVBQESA-N |
