IN2
Summary
| Name: | N,N-DIMETHYLCARBAMOYL-ALPHA-AZALYSINE |
| Formula: | C8 H18 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 218.254 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(4-aminobutyl)-2-(dimethylcarbamoyl)hydrazinecarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 4-aminobutyl-(dimethylcarbamoylamino)carbamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NN(C(=O)O)CCCCN)N(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)C(=O)NN(CCCCN)C(O)=O |
| SMILES | CACTVS | 3.341 | CN(C)C(=O)NN(CCCCN)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)C(=O)NN(CCCCN)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)C(=O)NN(CCCCN)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H18N4O3/c1-11(2)7(13)10-12(8(14)15)6-4-3-5-9/h3-6,9H2,1-2H3,(H,10,13)(H,14,15) |
| InChIKey | InChI | 1.03 | NKYYGDMMHLUQBA-UHFFFAOYSA-N |
