QI2
Summary
| Name: | (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide |
| Formula: | C24 H32 F2 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 434.519 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide |
| OpenEye OEToolkits | 1.7.0 | (2S,4R)-2-[2-[3-(4-fluoro-3-methyl-phenyl)propyl-methyl-amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(cc1C)CCCN(CCC(C(=O)NO)CC(OC)c2ccc(F)cc2)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CO[C@H](C[C@H](CCN(C)CCCc1ccc(F)c(C)c1)C(=O)NO)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.370 | CO[CH](C[CH](CCN(C)CCCc1ccc(F)c(C)c1)C(=O)NO)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(ccc1F)CCC[N@](C)CC[C@@H](C[C@H](c2ccc(cc2)F)OC)C(=O)NO |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(ccc1F)CCCN(C)CCC(CC(c2ccc(cc2)F)OC)C(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C24H32F2N2O3/c1-17-15-18(6-11-22(17)26)5-4-13-28(2)14-12-20(24(29)27-30)16-23(31-3)19-7-9-21(25)10-8-19/h6-11,15,20,23,30H,4-5,12-14,16H2,1-3H3,(H,27,29)/t20-,23+/m0/s1 |
| InChIKey | InChI | 1.03 | VNXRIINFDPLDNI-NZQKXSOJSA-N |
