LAE
Summary
| Name: | 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE |
| Synonyms: | N-(3-OXO-OCTANAL-1-YL)-HOMOSERINE LACTONE |
| Formula: | C12 H19 N O4 |
| Formal charge: | 0 |
| Formula weight: | 241.284 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide |
| OpenEye OEToolkits | 1.5.0 | 3-oxo-N-[(3S)-2-oxooxolan-3-yl]octanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1OCCC1NC(=O)CC(=O)CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |
| SMILES | CACTVS | 3.341 | CCCCCC(=O)CC(=O)N[CH]1CCOC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)CC(=O)NC1CCOC1=O |
| InChI | InChI | 1.03 | InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | FXCMGCFNLNFLSH-JTQLQIEISA-N |
