TFR
Summary
| Name: | (2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid |
| Formula: | C11 H19 F3 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 300.275 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-azanyl-7-oxidanylidene-7-[[(2R,3S)-4,4,4-tris(fluoranyl)-3-oxidanyl-butan-2-yl]amino]heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)C(O)C(NC(=O)CCCCC(C(=O)O)N)C |
| InChI | InChI | 1.03 | InChI=1S/C11H19F3N2O4/c1-6(9(18)11(12,13)14)16-8(17)5-3-2-4-7(15)10(19)20/h6-7,9,18H,2-5,15H2,1H3,(H,16,17)(H,19,20)/t6-,7-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | GCYIIHHJPYOBBJ-BHNWBGBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](NC(=O)CCCC[C@@H](N)C(O)=O)[C@H](O)C(F)(F)F |
| SMILES | CACTVS | 3.370 | C[CH](NC(=O)CCCC[CH](N)C(O)=O)[CH](O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]([C@@H](C(F)(F)F)O)NC(=O)CCCC[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(C(F)(F)F)O)NC(=O)CCCCC(C(=O)O)N |
