LCZ
Summary
| Name: | (2S)-2-amino-4-methylpentanal |
| Formula: | C6 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 115.174 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-methylpentanal |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-4-methyl-pentanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC(N)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO/c1-5(2)3-6(7)4-8/h4-6H,3,7H2,1-2H3/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | ZOFRRNUENOHELM-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N)C=O |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](N)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](C=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C=O)N |
