PRD_000360
Summary
| Name: | N-(trifluoroacetyl)-L-valyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide |
| Formula: | C17 H19 F6 N3 O3 |
| Formal charge: | 0 |
| Fomular weight: | 427.341 |
| Component type: | peptide-like |
| Polymer sequences: | TFA, VAL, ALA, ANI |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | single molecule |
| Families: | FAM_000232 |
| Program | Version | Name |
| ACDLabs | 10.04 | N-(trifluoroacetyl)-L-valyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide |
| OpenEye OEToolkits | 1.5.0 | (2S)-3-methyl-N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl]-2-(2,2,2-trifluoroethanoylamino)butanamide |
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)C(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.341 | CC(C)[CH](NC(=O)C(F)(F)F)C(=O)N[CH](C)C(=O)Nc1ccc(cc1)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C17H19F6N3O3/c1-8(2)12(26-15(29)17(21,22)23)14(28)24-9(3)13(27)25-11-6-4-10(5-7-11)16(18,19)20/h4-9,12H,1-3H3,(H,24,28)(H,25,27)(H,26,29)/t9-,12-/m0/s1 |
| InChIKey | InChI | 1.03 | XAJBYSREBDCYAJ-CABZTGNLSA-N |
