KPF
Summary
Name: | N-(1-carboxy-2-fluoro-ethenyl) lysine |
Formula: | C9 H15 F N2 O4 |
Formal charge: | 0 |
Formula weight: | 234.225 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1 |
InChIKey | InChI | 1.03 | WXGQZGWULWCASD-AVIBYBNCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCN=C(CF)C(O)=O)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](CCCCN=C(CF)C(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CC/N=C(\CF)/C(=O)O)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | C(CCN=C(CF)C(=O)O)CC(C(=O)O)N |