LXY
Summary
| Name: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide |
| Formula: | C24 H19 F8 N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 609.492 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{R},5~{S})-4-fluoranyl-1-(4-fluorophenyl)sulfonyl-5-methyl-~{N}-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl]pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC3N(C(C(NCc2cc(c1cnc(C(F)(F)F)nc1)ncc2C(F)(F)F)=O)CC3F)S(c4ccc(cc4)F)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C24H19F8N5O3S/c1-12-18(26)7-20(37(12)41(39,40)16-4-2-15(25)3-5-16)21(38)34-8-13-6-19(33-11-17(13)23(27,28)29)14-9-35-22(36-10-14)24(30,31)32/h2-6,9-12,18,20H,7-8H2,1H3,(H,34,38)/t12-,18+,20-/m0/s1 |
| InChIKey | InChI | 1.03 | RGXNECXVRZKGGH-UOXRKKOCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1[C@H](F)C[C@H](N1[S](=O)(=O)c2ccc(F)cc2)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F)(F)F |
| SMILES | CACTVS | 3.385 | C[CH]1[CH](F)C[CH](N1[S](=O)(=O)c2ccc(F)cc2)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@@H](C[C@H](N1S(=O)(=O)c2ccc(cc2)F)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F)(F)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(CC(N1S(=O)(=O)c2ccc(cc2)F)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F)(F)F)F |
