XNG
Summary
| Name: | 4-(decanoylamino)butanoic acid |
| Formula: | C14 H27 N O3 |
| Formal charge: | 0 |
| Formula weight: | 257.369 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(decanoylamino)butanoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-(decanoylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCC(=O)O)NC(CCCCCCCCC)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18) |
| InChIKey | InChI | 1.03 | BARYBGIAWGGBOE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCC(=O)NCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCC(=O)NCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCC(=O)NCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCC(=O)NCCCC(=O)O |
