3M5
Summary
| Name: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide |
| Synonyms: | N-(3-Oxodecanoyl)-L-homoserine lactone |
| Formula: | C14 H23 N O4 |
| Formal charge: | 0 |
| Formula weight: | 269.337 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide |
| OpenEye OEToolkits | 1.7.6 | 3-oxidanylidene-N-[(3S)-2-oxidanylideneoxolan-3-yl]decanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1OCCC1NC(=O)CC(=O)CCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | KYGIKEQVUKTKRR-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |
| SMILES | CACTVS | 3.385 | CCCCCCCC(=O)CC(=O)N[CH]1CCOC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCC(=O)CC(=O)NC1CCOC1=O |
