CFD
Summary
| Name: | (2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal |
| Formula: | C8 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 157.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal |
| OpenEye OEToolkits | 2.0.7 | (~{E},2~{R},5~{R})-5-azanyl-2,4-dimethyl-hex-3-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CC(\C=C(/C)C(N)C)C |
| InChI | InChI | 1.06 | InChI=1S/C8H15NO2/c1-5(7(3)9)4-6(2)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/b5-4+/t6-,7-/m1/s1 |
| InChIKey | InChI | 1.06 | LUYKEALMMZKHMP-XIMOZBJHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N)/C(C)=C/[C@@H](C)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](N)C(C)=C[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](/C=C(\C)/[C@@H](C)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C=C(C)C(C)N)C(=O)O |
