TEM
Summary
| Name: | N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE |
| Formula: | C7 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 157.167 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-3-hydroxy-4-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanal |
| OpenEye OEToolkits | 1.5.0 | 3-hydroxy-4-[[(E)-3-oxoprop-1-enyl]amino]butanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C\C=C\NCC(O)CC=O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](CN\C=C\C=O)CC=O |
| SMILES | CACTVS | 3.341 | O[CH](CNC=CC=O)CC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C=O)C(CN\C=C\C=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C=O)C(CNC=CC=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-5,7-8,11H,2,6H2/b3-1+/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | FXITUJNZFYVSNC-RCYFRSRISA-N |
