A1AI3
Summary
| Name: | N-octanoyl-L-homoserine |
| Formula: | C12 H23 N O4 |
| Formal charge: | 0 |
| Formula weight: | 245.315 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-octanoyl-L-homoserine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(octanoylamino)-4-oxidanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C(NC(=O)CCCCCCC)CCO |
| InChI | InChI | 1.06 | InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-11(15)13-10(8-9-14)12(16)17/h10,14H,2-9H2,1H3,(H,13,15)(H,16,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | DFDLFCATYPBJHB-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC(=O)N[C@@H](CCO)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCC(=O)N[CH](CCO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)N[C@@H](CCO)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)NC(CCO)C(=O)O |
