P1X
Summary
| Name: | 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid |
| Synonyms: | (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine |
| Formula: | C19 H18 Cl N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 415.83 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H18ClN5O4/c20-14-5-3-12(4-6-14)2-1-7-25-11-15(23-24-25)13-8-16(26)18(21-9-13)19(29)22-10-17(27)28/h3-6,8-9,11,26H,1-2,7,10H2,(H,22,29)(H,27,28) |
| InChIKey | InChI | 1.06 | RODNKCMKPZCZKG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CNC(=O)c1ncc(cc1O)c2cn(CCCc3ccc(Cl)cc3)nn2 |
| SMILES | CACTVS | 3.385 | OC(=O)CNC(=O)c1ncc(cc1O)c2cn(CCCc3ccc(Cl)cc3)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCCn2cc(nn2)c3cc(c(nc3)C(=O)NCC(=O)O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCCn2cc(nn2)c3cc(c(nc3)C(=O)NCC(=O)O)O)Cl |
