PRD_000364
Summary
| Name: | N-(trifluoroacetyl)-L-phenylalanyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide |
| Synonyms: | TFAP |
| Formula: | C21 H19 F6 N3 O3 |
| Formal charge: | 0 |
| Fomular weight: | 475.384 |
| Component type: | peptide-like |
| Polymer sequences: | TFA, PHE, ALA, ANI |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | single molecule |
| Families: | FAM_000232 |
| Program | Version | Name |
| ACDLabs | 10.04 | N-(trifluoroacetyl)-L-phenylalanyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide |
| OpenEye OEToolkits | 1.5.0 | (2S)-N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl]-3-phenyl-2-(2,2,2-trifluoroethanoylamino)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ccc(cc1)C(F)(F)F)C(NC(=O)C(NC(=O)C(F)(F)F)Cc2ccccc2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F)C(=O)Nc2ccc(cc2)C(F)(F)F |
| SMILES | CACTVS | 3.341 | C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)C(F)(F)F)C(=O)Nc2ccc(cc2)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C21H19F6N3O3/c1-12(17(31)29-15-9-7-14(8-10-15)20(22,23)24)28-18(32)16(30-19(33)21(25,26)27)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,28,32)(H,29,31)(H,30,33)/t12-,16-/m0/s1 |
| InChIKey | InChI | 1.03 | YVHDCJDFGBMJNF-LRDDRELGSA-N |
