| PDB CCD ID: | A1D5J |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C22 H22 N2 O4 |
| InChI: | InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1 |
| InChIKey: | OUJTZYPIHDYQMC-LJQANCHMSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COC([C@H](Oc1nc(C)cc(C)n1)C(O)=O)(c2ccccc2)c3ccccc3 | | OpenEye OEToolkits 2.0.7 | Cc1cc(nc(n1)O[C@H](C(=O)O)C(c2ccccc2)(c3ccccc3)OC)C | | CACTVS 3.385 | COC([CH](Oc1nc(C)cc(C)n1)C(O)=O)(c2ccccc2)c3ccccc3 | | OpenEye OEToolkits 2.0.7 | Cc1cc(nc(n1)OC(C(=O)O)C(c2ccccc2)(c3ccccc3)OC)C |
|
| Name: | (2~{S})-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoic acid;
Ambrisentan |
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