| PDB CCD ID: | A1LVC |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C27 H29 F N2 O4 |
| InChI: | InChI=1S/C27H29FN2O4/c1-4-34-23-6-5-15-29-22(23)16-19-9-13-20(14-10-19)24(28)26(31)30-25(18(3)27(32)33)21-11-7-17(2)8-12-21/h5-15,18,24-25H,4,16H2,1-3H3,(H,30,31)(H,32,33) |
| InChIKey: | BFXQKBUFKIVUSI-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCOc1cccnc1Cc2ccc(cc2)[C@@H](C(=O)N[C@H](c3ccc(cc3)C)[C@@H](C)C(=O)O)F | | CACTVS 3.385 | CCOc1cccnc1Cc2ccc(cc2)[C@H](F)C(=O)N[C@@H]([C@H](C)C(O)=O)c3ccc(C)cc3 | | CACTVS 3.385 | CCOc1cccnc1Cc2ccc(cc2)[CH](F)C(=O)N[CH]([CH](C)C(O)=O)c3ccc(C)cc3 | | OpenEye OEToolkits 2.0.7 | CCOc1cccnc1Cc2ccc(cc2)C(C(=O)NC(c3ccc(cc3)C)C(C)C(=O)O)F |
|
| Name: | (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid |
zhanggroup.org