DIK
Summary
| Name: | 5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid |
| Formula: | C18 H23 N O4 |
| Formal charge: | 0 |
| Formula weight: | 317.38 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid |
| OpenEye OEToolkits | 1.5.0 | 5-[[4-(5-methyl-3-oxo-hex-4-enyl)phenyl]amino]-5-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCC(=O)Nc1ccc(cc1)CCC(=O)\C=C(/C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)=CC(=O)CCc1ccc(NC(=O)CCCC(O)=O)cc1 |
| SMILES | CACTVS | 3.341 | CC(C)=CC(=O)CCc1ccc(NC(=O)CCCC(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=CC(=O)CCc1ccc(cc1)NC(=O)CCCC(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=CC(=O)CCc1ccc(cc1)NC(=O)CCCC(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C18H23NO4/c1-13(2)12-16(20)11-8-14-6-9-15(10-7-14)19-17(21)4-3-5-18(22)23/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,19,21)(H,22,23) |
| InChIKey | InChI | 1.03 | SZAPYZUSRJAHQP-UHFFFAOYSA-N |
