A1C3P
Summary
| Name: | (3R)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide |
| Synonyms: | N-3-hydroxyoctanoyl-L-Homoserine lactone |
| Formula: | C12 H21 N O4 |
| Formal charge: | 0 |
| Formula weight: | 243.299 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3R)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{R})-3-oxidanyl-~{N}-[(3~{S})-2-oxidanylideneoxolan-3-yl]octanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1OCCC1NC(=O)CC(O)CCCCC |
| InChI | InChI | 1.06 | InChI=1S/C12H21NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h9-10,14H,2-8H2,1H3,(H,13,15)/t9-,10+/m1/s1 |
| InChIKey | InChI | 1.06 | XCZVBYOXRSFQBH-ZJUUUORDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@@H](O)CC(=O)N[C@H]1CCOC1=O |
| SMILES | CACTVS | 3.385 | CCCCC[CH](O)CC(=O)N[CH]1CCOC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCCC[C@H](CC(=O)N[C@H]1CCOC1=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCCC(CC(=O)NC1CCOC1=O)O |
