5RE
Summary
| Name: | (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide |
| Formula: | C25 H25 F N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 420.476 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H25FN2O3/c1-17(20-7-3-2-4-8-20)27-25(31)23(15-18-10-12-21(26)13-11-18)28-24(30)16-19-6-5-9-22(29)14-19/h2-14,17,23,29H,15-16H2,1H3,(H,27,31)(H,28,30)/t17-,23-/m0/s1 |
| InChIKey | InChI | 1.03 | FYIWCUFRBHMEBW-SBUREZEXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc2cccc(O)c2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)[CH](Cc1ccc(F)cc1)NC(=O)Cc2cccc(O)c2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)F)NC(=O)Cc3cccc(c3)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(c1ccccc1)NC(=O)C(Cc2ccc(cc2)F)NC(=O)Cc3cccc(c3)O |
