4CF
Summary
Name: | 4-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 | 4-cyano-L-phenylalanine |
OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-3-(4-cyanophenyl)propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1ccc(C#N)cc1 |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccc(cc1)C#N)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH](Cc1ccc(cc1)C#N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C[C@@H](C(=O)O)N)C#N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CC(C(=O)O)N)C#N |
InChI | InChI | 1.03 | InChI=1S/C10H10N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1 |
InChIKey | InChI | 1.03 | KWIPUXXIFQQMKN-VIFPVBQESA-N |