A1ILP
Summary
| Name: | (2~{R})-2-azanyl-3-[[3-(5-ethyl-1,2-oxazol-4-yl)-5-fluoranyl-phenyl]carbonylamino]propanoic acid |
| Formula: | C15 H16 F N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 321.304 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-[[3-(5-ethyl-1,2-oxazol-4-yl)-5-fluoranyl-phenyl]carbonylamino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H16FN3O4/c1-2-13-11(6-19-23-13)8-3-9(5-10(16)4-8)14(20)18-7-12(17)15(21)22/h3-6,12H,2,7,17H2,1H3,(H,18,20)(H,21,22)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | SFERCLORGFKWPI-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1oncc1c2cc(F)cc(c2)C(=O)NC[C@@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCc1oncc1c2cc(F)cc(c2)C(=O)NC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(cno1)c2cc(cc(c2)F)C(=O)NC[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(cno1)c2cc(cc(c2)F)C(=O)NCC(C(=O)O)N |
