A1EC7
Summary
| Name: | 5-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylic acid |
| Formula: | C16 H19 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 333.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H19N3O5/c1-9-12(16(21)22)7-11(23-9)8-19(2)14(20)6-5-13-17-15(18-24-13)10-3-4-10/h7,10H,3-6,8H2,1-2H3,(H,21,22) |
| InChIKey | InChI | 1.06 | QFOSACYCLBYVKP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1oc(C)c(c1)C(O)=O)C(=O)CCc2onc(n2)C3CC3 |
| SMILES | CACTVS | 3.385 | CN(Cc1oc(C)c(c1)C(O)=O)C(=O)CCc2onc(n2)C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(o1)CN(C)C(=O)CCc2nc(no2)C3CC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(o1)CN(C)C(=O)CCc2nc(no2)C3CC3)C(=O)O |
