FFL
Summary
Name: | 5,5'-difluoroleucines |
Synonyms: | (2S)-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid |
Formula: | C6 H11 F2 N O2 |
Formal charge: | 0 |
Formula weight: | 167.154 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C6H11F2NO2/c7-2-4(3-8)1-5(9)6(10)11/h4-5H,1-3,9H2,(H,10,11)/t5-/m0/s1 |
InChIKey | InChI | 1.06 | UFUPPGKUXMRROI-YFKPBYRVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(CF)CF)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](CC(CF)CF)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H](C(=O)O)N)C(CF)CF |
SMILES | OpenEye OEToolkits | 2.0.7 | C(C(CF)CF)C(C(=O)O)N |