IAE
Summary
| Name: | (2S)-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid |
| Formula: | C11 H12 F3 N O2 |
| Formal charge: | 0 |
| Formula weight: | 247.214 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H12F3NO2/c12-11(13,14)8-4-1-7(2-5-8)3-6-9(15)10(16)17/h1-2,4-5,9H,3,6,15H2,(H,16,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | VOINSBLLXKDEJC-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCc1ccc(cc1)C(F)(F)F)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCc1ccc(cc1)C(F)(F)F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC[C@@H](C(=O)O)N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCC(C(=O)O)N)C(F)(F)F |
