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 |