5RF
Summary
| Name: | (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide |
| Formula: | C26 H27 Br N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 495.408 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H27BrN2O3/c1-18(20-8-4-3-5-9-20)28-26(31)24(17-21-10-6-7-11-23(21)27)29-25(30)16-19-12-14-22(32-2)15-13-19/h3-15,18,24H,16-17H2,1-2H3,(H,28,31)(H,29,30)/t18-,24-/m0/s1 |
| InChIKey | InChI | 1.03 | ZFUNKFOMZPXBEZ-UUOWRZLLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CC(=O)N[C@@H](Cc2ccccc2Br)C(=O)N[C@@H](C)c3ccccc3)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CC(=O)N[CH](Cc2ccccc2Br)C(=O)N[CH](C)c3ccccc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccccc2Br)NC(=O)Cc3ccc(cc3)OC |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(c1ccccc1)NC(=O)C(Cc2ccccc2Br)NC(=O)Cc3ccc(cc3)OC |
