A1ILO
Summary
| Name: | (2~{R})-2-azanyl-3-[[3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoranyl-phenyl]carbonylamino]propanoic acid |
| Formula: | C16 H18 F N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 335.33 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-[[3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoranyl-phenyl]carbonylamino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H18FN3O4/c1-3-13-14(8(2)20-24-13)9-4-10(6-11(17)5-9)15(21)19-7-12(18)16(22)23/h4-6,12H,3,7,18H2,1-2H3,(H,19,21)(H,22,23)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | YRVGMGPKUOMUSA-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1onc(C)c1c2cc(F)cc(c2)C(=O)NC[C@@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCc1onc(C)c1c2cc(F)cc(c2)C(=O)NC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c(no1)C)c2cc(cc(c2)F)C(=O)NC[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c(no1)C)c2cc(cc(c2)F)C(=O)NCC(C(=O)O)N |
