OH0
Summary
| Name: | N-heptanoyl-N-hydroxy-beta-alanine |
| Formula: | C10 H19 N O4 |
| Formal charge: | 0 |
| Formula weight: | 217.262 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-heptanoyl-N-hydroxy-beta-alanine |
| OpenEye OEToolkits | 2.0.7 | 3-[heptanoyl(oxidanyl)amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCN(O)C(=O)CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C10H19NO4/c1-2-3-4-5-6-9(12)11(15)8-7-10(13)14/h15H,2-8H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | DOYDHAWEPMQVFZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC(=O)N(O)CCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCC(=O)N(O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCC(=O)N(CCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC(=O)N(CCC(=O)O)O |
